SCHEMBL8600947

SCHEMBL8600947

Cc1c(CC(=O)Nc2ccccc2)ccc(C(=O)N2Cc3ccccc3-c3ccccc32)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
AVPR2 P30518 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
NAMPT P43490 1/20 0.36
EPHX2 P34913 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
SCHEMBL7333835 0.85 AVPR2 (0.46) AVPR2
SCHEMBL7331308 0.83 AVPR2 (0.54) AVPR2
SCHEMBL7340968 0.79 PDCD1 (0.46) MAPTHSD17B10AVPR2
SCHEMBL7331304 0.78 KMT2A (0.48) AVPR2POLB
SCHEMBL8841065 0.76 AVPR2 (0.47) AVPR2
SCHEMBL7333084 0.75 AVPR2 (0.48) AVPR2
SCHEMBL7336556 0.75 AVPR2 (0.44) MAPTAVPR2POLBCYP2C9SMN1; SMN2
SCHEMBL7340964 0.74 KCNJ5 (0.48) SMN1; SMN2
SCHEMBL7340030 0.74 AVPR2 (0.47) MAPTAVPR2CYP1A2CYP2D6CYP2C9
SCHEMBL7342045 0.74 AVPR2 (0.54) AVPR2

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
US-5747487-A N-(4-((4,5-DIHYDRO-6H-THIAZOL(5,4-D)(1)BENZAZEPIN-6-YL) -CARBONYL)PHENYL)BENZAMIDES; DISEASES CHARATERIZED BY EXCESS RENAL ABSORPTION OF WATER, E.G. CONGESTIVE HEART DISEASE, HYERTENSION; OXYTOCIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1998-05-05 US disclosed