SCHEMBL6966416

SCHEMBL6966416

COc1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)ccc1C(=O)N1CCC(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.53
AVPR1A P37288 1/20 0.53
AVPR1B P47901 1/20 0.53
CCKBR P32239 2/20 0.42
ACHE P22303 1/20 0.42
MTTP P55157 3/20 0.41

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
SCHEMBL6959660 0.91 AVPR2 (0.50) AVPR2AVPR1AAVPR1BCCKBR
SCHEMBL8961819 0.90 AVPR2 (0.57) AVPR2AVPR1AAVPR1BACHEMTTP
SCHEMBL6971527 0.90 AVPR2 (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL6971762 0.88 AVPR2 (0.53) AVPR2AVPR1AAVPR1BACHEMTTP
SCHEMBL6701281 0.88 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6957855 0.87 AVPR1A (0.54) AVPR2AVPR1AAVPR1BCCKBRMTTP
SCHEMBL6972071 0.85 AVPR2 (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6970484 0.85 AVPR2 (0.55) AVPR2AVPR1AAVPR1B
SCHEMBL8961680 0.85 AVPR2 (0.49) AVPR2AVPR1AAVPR1BCCKBR
SCHEMBL6966950 0.84 AVPR2 (0.52) AVPR2AVPR1AAVPR1B

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