SCHEMBL129188

SCHEMBL129188

[CH2]CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2D6 P10635 2/20 0.50
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACP3 P15309 1/20 0.47
SLC18A2 Q05940 1/20 0.45
DAO P14920 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL303656 0.88 HPRT1 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL108121 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3047898 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL134471 0.85 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL303705 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL304711 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL302931 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL303906 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL303608 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL304716 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A

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 3603 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO claimed
CN-116120919-A Triplet-triplet annihilation up-conversion luminescent material based on thermal activation and preparation and application thereof 中国科学院理化技术研究所 2023-05-16 CN claimed
US-11530234-B2 CD73 inhibitors and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-20 US claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
EP-3849992-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-07-21 EP claimed
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US claimed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US claimed
US-20210139526-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2021-05-13 US claimed
CN-112771061-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2021-05-07 CN claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
US-5468889-A FOR USE AS POLYMERIZATION CATALYSTS THE UNIVERSITY OF TOLEDO (US) 1995-11-21 US claimed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US claimed
EP-0338946-B1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1992-07-01 EP claimed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
US-4935517-A STABILITY, INTENSITY UNIVERSITE CLAUDE BERNARD (FR) 1990-06-19 US claimed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 EP claimed
EP-0338946-A1 Sweetening agents which derive from the acides l-aspartic and l-glutamotic-n-hydrocarbonés NOFRE, Claude (FR) 1989-10-25 EP claimed
EP-0153261-B1 ESTERS FROM THE FAMILY OF THE N-PHOSPHONOMETHYLGLYCINE AND THEIR USE FOR THE PREPARATION OF KNOWN HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1989-01-25 EP claimed
US-4119726-A ANTISECRETORY AGENTS, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-10-10 US claimed