SCHEMBL6964969

SCHEMBL6964969

COc1cc(C(=O)N2CCC(=O)N(C(C=O)N3CCN(C)CC3)c3cc(Cl)ccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.49
AVPR1B P47901 8/20 0.49
AVPR2 P30518 13/20 0.45
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
MTTP P55157 2/20 0.39
SPTLC2 O15270 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL6972086 0.95 AVPR1A (0.51) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6967089 0.88 AVPR1A (0.46) AVPR1AAVPR1BAVPR2
SCHEMBL6964965 0.84 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MEN1USP2
SCHEMBL6971506 0.82 AVPR1A (0.54) AVPR1AAVPR1BAVPR2CYP2C9MTTP
SCHEMBL6970749 0.81 AVPR2 (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL6971739 0.80 AVPR1A (0.50) AVPR1AAVPR1BAVPR2SMN1; SMN2CYP2C9
SCHEMBL8961714 0.78 AVPR1A (0.53) AVPR1AAVPR1BAVPR2MEN1USP2
SCHEMBL6972082 0.78 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6957855 0.78 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6965230 0.76 AVPR1A (0.56) AVPR1AAVPR1BAVPR2MTTP

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed