SCHEMBL6957577

SCHEMBL6957577

COc1cc(C(=O)N2CCC(=O)N(CC(=O)N3CCN(C)CC3)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.49
AVPR1B P47901 10/20 0.49
AVPR2 P30518 14/20 0.49
MAP3K7 O43318 2/20 0.41
CCKBR P32239 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL9414294 0.94 AVPR1A (0.47) AVPR1AAVPR1BAVPR2MAP3K7CCKBR
SCHEMBL6957855 0.92 AVPR1A (0.54) AVPR1AAVPR1BAVPR2CCKBR
SCHEMBL6967087 0.91 AVPR1A (0.47) AVPR1AAVPR1BAVPR2MAP3K7CCKBR
SCHEMBL8961772 0.90 AVPR1A (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL6967250 0.90 AVPR2 (0.46) AVPR1AAVPR1BAVPR2MAP3K7
SCHEMBL6960071 0.90 AVPR1A (0.53) AVPR1AAVPR1BAVPR2
SCHEMBL6970362 0.88 AVPR1A (0.49) AVPR1AAVPR1BAVPR2
SCHEMBL6972082 0.88 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MAP3K7CCKBR
SCHEMBL6971575 0.87 AVPR2 (0.42) AVPR1AAVPR1BAVPR2
SCHEMBL6961515 0.86 AVPR2 (0.53) 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