SCHEMBL7997577

SCHEMBL7997577

CCC(=O)C(Cc1ccc(-c2ccc(OC)cc2CC)cc1)N(C)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LDHA P00338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOB P27338 1/20 0.36
CRHR1 P34998 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
SCHEMBL14301286 0.79 MTNR1A (0.41) SRD5A2MTNR1AMTNR1BFFAR1FFAR4
SCHEMBL14301451 0.79 MTNR1A (0.43) SRD5A2MTNR1AMTNR1BFFAR1FFAR4
SCHEMBL7983670 0.79 MTNR1A (0.43) SRD5A2MTNR1AMTNR1BFFAR1FFAR4
SCHEMBL10064167 0.78 SRD5A2 (0.39) SRD5A2MTNR1AMTNR1BFFAR1FFAR4
SCHEMBL25146375 0.77 GAA (0.45) SRD5A2PPARAPPARGSMN1; SMN2LDHA
SCHEMBL14601306 0.76 LDHA (0.49) SRD5A2FFAR1FFAR4PPARAPPARG
SCHEMBL30040624 0.75 TPH1 (0.54) PPARAPPARGSMN1; SMN2LDHA
SCHEMBL2000467 0.75 TPH1 (0.54) PPARAPPARGSMN1; SMN2LDHA
SCHEMBL429637 0.75 TPH1 (0.54) PPARAPPARGSMN1; SMN2LDHA
SCHEMBL23512359 0.75 KDM4E (0.49) SRD5A2MTNR1AMTNR1BFFAR1FFAR4

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-2009125424-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2009-10-15 WO disclosed