SCHEMBL531326

SCHEMBL531326

Cc1ccc(C(O)CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.64
NFKB1 P19838 3/20 0.64
TSHR P16473 2/20 0.64
HIF1A Q16665 2/20 0.64
HTR3A P46098 1/20 0.64
TDP1 Q9NUW8 4/20 0.61
KDM4E B2RXH2 4/20 0.61
APEX1 P27695 3/20 0.61
ALOX15 P16050 1/20 0.61
BLM P54132 5/20 0.52
MAPT P10636 4/20 0.52
RECQL P46063 3/20 0.52
ADRB3 P13945 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52

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
SCHEMBL7151036 1.00 TAAR1 (0.64) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6675367 1.00 TAAR1 (0.64) TAAR1NFKB1TSHRHIF1AHTR3A
Hydrochloric Acid SCHEMBL4784091 0.98 TDP1 (0.65) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL4074768 0.87 TAAR1 (0.80) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6923821 0.82 TAAR1 (0.43) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL7490714 0.81 TAAR1 (0.64) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL9729120 0.78 TAAR1 (0.67) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL13880000 0.78 TAAR1 (0.67) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6134241 0.78 TSHR (0.46) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6493189 0.78 TSHR (0.46) TAAR1NFKB1TSHRHIF1AHTR3A

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

Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP claimed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US claimed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP claimed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO claimed
CN-117178007-A Phenylether oligomers and curable thermoset compositions comprising the same 高新特殊工程塑料全球技术有限公司 2023-12-05 CN disclosed
CN-109734643-B Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron 陕西师范大学 2021-05-14 CN disclosed
CN-110387037-A Polyphenylene oxide and its manufacturing method 旭化成株式会社 2019-10-29 CN disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO disclosed
EP-2686325-B1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-12-14 EP disclosed
CN-103517910-B Morpholine-spirocyclic piperidine amides as modulators of ion channels 沃泰克斯药物股份有限公司 2016-12-14 CN disclosed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed
EP-0069838-A1 Aralkylamino-ethoxy salicyl amides, and their pharmaceutical use CIBA-GEIGY AG (CH) 1983-01-19 EP disclosed
US-4010191-A Acyl derivatives of substituted bis-arylalkylamino compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-01 US disclosed
US-3983133-A CNS ANTIDEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-09-28 US disclosed
US-3963718-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS JANSSEN PHARMACEUTICA (BE) 1976-06-15 US disclosed