SCHEMBL20756641

SCHEMBL20756641

N#Cc1ccc2c(c1)NCN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
PNMT P11086 1/20 0.40
SNCA P37840 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL30529587 0.89 KDM4E (0.45) DRD2DRD3PNMTSNCAIMPDH2
SCHEMBL21383855 0.89 KDM4E (0.45) DRD2DRD3PNMTSNCAIMPDH2
Hydrochloric Acid SCHEMBL15798908 0.83 SNCA (0.38) DRD2DRD3PNMTSNCAIMPDH2
SCHEMBL30294431 0.75 PNMT (0.54) DRD2DRD3PNMTIMPDH2IMPDH1
SCHEMBL4060436 0.75 PNMT (0.54) DRD2DRD3PNMTIMPDH2IMPDH1
SCHEMBL29242099 0.75 SNCA (0.47) DRD2DRD3PNMTSNCAIMPDH2
SCHEMBL6618447 0.74 CYP11B1 (0.47) SNCAMAOBKDM4EMAPTALDH1A1
SCHEMBL6615390 0.74 GSK3B (0.44) DRD2DRD3MAOBKDM4EMAPT
SCHEMBL19848290 0.71 IMPDH2 (0.39) DRD2DRD3PNMTSNCAIMPDH2
SCHEMBL748146 0.71 PNMT (0.55) DRD2DRD3PNMTIMPDH2IMPDH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
CN-103998443-B There is the cyclohexylamine derivant of the activity of beta 2-adrenergic agonist and M3 muscarine antagonist 阿尔米雷尔有限公司 2016-08-24 CN disclosed