SCHEMBL6971506

SCHEMBL6971506

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.54
AVPR1B P47901 10/20 0.54
AVPR2 P30518 14/20 0.48
CYP2C9 P11712 1/20 0.42
MTTP P55157 2/20 0.42
SPTLC2 O15270 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6965230 0.94 AVPR1A (0.56) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6970821 0.93 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6971739 0.93 AVPR1A (0.50) AVPR1AAVPR1BAVPR2CYP2C9MTTP
SCHEMBL6966347 0.92 AVPR2 (0.44) AVPR1AAVPR1BAVPR2CYP2C9MTTP
SCHEMBL6964965 0.91 AVPR1A (0.50) AVPR1AAVPR1BAVPR2CYP2C9MTTP
SCHEMBL6965369 0.88 AVPR2 (0.54) AVPR1AAVPR1BAVPR2CYP2C9
SCHEMBL6959303 0.87 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6967424 0.85 AVPR2 (0.46) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6968185 0.85 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6972082 0.85 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPTP53

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 2 patents. 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
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed