SCHEMBL6972082

SCHEMBL6972082

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.52
AVPR1B P47901 11/20 0.52
AVPR2 P30518 13/20 0.52
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MTTP P55157 2/20 0.41
CCKBR P32239 1/20 0.40
MAP3K7 O43318 1/20 0.40

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
SCHEMBL6957855 0.96 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTPCCKBR
SCHEMBL6964965 0.95 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6967087 0.93 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL8961667 0.92 AVPR2 (0.47) AVPR1AAVPR1BAVPR2LMNAMTTP
SCHEMBL6965230 0.90 AVPR1A (0.56) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL9414294 0.89 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6959303 0.88 AVPR1A (0.52) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970694 0.88 AVPR2 (0.52) AVPR1AAVPR1BAVPR2
SCHEMBL6957577 0.88 AVPR1A (0.49) AVPR1AAVPR1BAVPR2CCKBRMAP3K7
SCHEMBL6965585 0.87 AVPR1A (0.51) AVPR1AAVPR1BAVPR2

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 3 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
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed