SCHEMBL6970903

SCHEMBL6970903

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4cc(Cl)ccc43)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.46
AVPR1A P37288 9/20 0.46
AVPR1B P47901 6/20 0.46
OXTR P30559 1/20 0.42
F10 P00742 2/20 0.42
CYP2C9 P11712 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
SCHEMBL8961667 0.94 AVPR2 (0.47) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6964965 0.92 AVPR1A (0.50) AVPR2AVPR1AAVPR1BF10CYP2C9
SCHEMBL6972761 0.91 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTRCYP2C9
SCHEMBL6966347 0.90 AVPR2 (0.44) AVPR2AVPR1AAVPR1BOXTRCYP2C9
SCHEMBL6967409 0.88 AVPR2 (0.48) AVPR2AVPR1AAVPR1BOXTRCYP2C9
SCHEMBL6965585 0.87 AVPR1A (0.51) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6972082 0.86 AVPR1A (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL6970694 0.85 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTRCYP2C9
SCHEMBL6957855 0.85 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6967424 0.84 AVPR2 (0.46) AVPR2AVPR1AAVPR1BOXTR

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