SCHEMBL7410084

SCHEMBL7410084

CCOC(=O)c1cccc2[nH]c3c(c12)CC(N(C)C)CC3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CHRM3 P20309 2/20 0.38
MAP3K5 Q99683 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL7403547 0.88 TSHR (0.46) HTR1FTSHRKDM4EMAPK1HSD17B10
SCHEMBL7413318 0.84 CHRM3 (0.45) HTR1FKMT2ACHRM3CHRM2CHRM1
SCHEMBL7409574 0.83 ALDH1A1 (0.45) HTR1FTSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL7407346 0.82 ALDH1A1 (0.44) HTR1FTSHRKDM4ECYP1A2CYP2D6
SCHEMBL7411269 0.81 HTR1F (0.36) HTR1FTSHRMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7414478 0.81 HTR1F (0.35) HTR1FTSHRMEN1NPC1RAB9A
SCHEMBL7412749 0.79 HTR1F (0.41) HTR1FCHRM3HSD17B10CHRM2CHRM1
SCHEMBL9189965 0.78 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL7410925 0.78 CHRM3 (0.43) HTR1FCHRM3CHRM2CHRM1
SCHEMBL7409636 0.77 KMT2A (0.65) HTR1FMEN1NPC1RAB9AKMT2A

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed