SCHEMBL7065679

SCHEMBL7065679

C1=C(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.40
CHRM1 P11229 1/20 0.39
FYN P06241 2/20 0.39
HTR2C P28335 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
CALM1 P0DP23 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL6043424 0.74 QDPR (0.57) HTR2CSIGMAR1NISCH
SCHEMBL21087138 0.72 HTR2C (0.47) HTR2CSIGMAR1HTR2B
SCHEMBL2929152 0.71 CALM1 (0.46) FYNSIGMAR1CALM1PTGS2GABRA1
SCHEMBL18015825 0.71 MAPT (0.55) CHRM3FYNCALM1PTGS2GABRA1
SCHEMBL16675752 0.71 FYN (0.59) FYNCALM1PTGS2GABRA1GABRB2
SCHEMBL7404347 0.70 SIGMAR1 (0.50) CHRM3CHRM1HTR2CSIGMAR1HTR2A
SCHEMBL2692579 0.70 CA12 (0.59) PTGS2GABRA1GABRB2
SCHEMBL29629010 0.70 PTGS2 (0.58) PTGS2GABRA1GABRB2
Hydrochloric Acid SCHEMBL1574641 0.69 HTR2C (0.52) CHRM3CHRM1HTR2CSIGMAR1HTR2A
SCHEMBL11204336 0.68 SIGMAR1 (0.67) HTR2CSIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed