SCHEMBL39655

SCHEMBL39655

NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.71
MAOB P27338 5/20 0.65
IDO1 P14902 2/20 0.63
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR2B P41595 1/20 0.61
ACP3 P15309 1/20 0.55
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
MIF P14174 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KIF11 P52732 1/20 0.50
GRIN2B Q13224 1/20 0.50
PNMT P11086 1/20 0.50
EPHX1 P07099 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29463258 1.00 TAAR1 (0.71) TAAR1MAOBIDO1HTR2AHTR2C
Bromide SCHEMBL11233006 0.98 TAAR1 (0.69) TAAR1MAOBIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL11220775 0.98 TAAR1 (0.69) TAAR1MAOBIDO1HTR2AHTR2C
Iodide SCHEMBL11221836 0.98 TAAR1 (0.69) TAAR1MAOBIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL26616857 0.98 TAAR1 (0.69) TAAR1MAOBIDO1HTR2AHTR2C
Bromide SCHEMBL31513704 0.98 TAAR1 (0.69) TAAR1MAOBIDO1HTR2AHTR2C
Ethylamine SCHEMBL4238530 0.94 TAAR1 (0.65) TAAR1MAOBIDO1HTR2AHTR2C
SCHEMBL8107790 0.89 TAAR1 (0.59) TAAR1MAOBIDO1HTR2AHTR2C
SCHEMBL3727416 0.88 MAOB (0.61) TAAR1MAOBIDO1HTR2AHTR2C
Acetic Acid SCHEMBL29007023 0.88 TAAR1 (0.57) TAAR1MAOBIDO1HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2225 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346782-A1 CHEMICAL ENTITIES W. L. GORE & ASSOCIATES, INC. (US) 2025-11-13 US claimed
WO-2025137551-A1 AMINE PURIFICATION IN A CARBON CAPTURE METHOD USING MOF BODIES SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2025-06-26 WO claimed
EP-4508040-A2 NO-RELEASING COATING W. L. Gore & Associates, Inc. (US) 2025-02-19 EP claimed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN claimed
US-20240270970-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2024-08-15 US claimed
WO-2023201067-A2 CHEMICAL ENTITIES W. L. GORE & ASSOCIATES, INC. (US) 2023-10-19 WO claimed
CN-116621765-A Synthesis method and application of 2-indolone analogue containing alpha, beta-unsaturated ketone 贵州省天然产物研究中心 2023-08-22 CN claimed
US-20230183488-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed