SCHEMBL6970774

SCHEMBL6970774

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4ccccc43)c(Cl)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.47
AVPR1A P37288 8/20 0.44
CCKBR P32239 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6968503 0.90 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL6970615 0.90 AVPR1A (0.48) AVPR2AVPR1A
SCHEMBL6972088 0.89 CCKBR (0.39) AVPR2AVPR1ACCKBRRAB9A
SCHEMBL6967699 0.87 AVPR1A (0.44) AVPR2AVPR1A
SCHEMBL6972403 0.87 AVPR2 (0.44) AVPR2AVPR1ACCKBRRAB9A
SCHEMBL6959660 0.85 AVPR2 (0.50) AVPR2AVPR1ACCKBR
SCHEMBL6961515 0.83 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL6970420 0.82 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL6966416 0.82 AVPR2 (0.53) AVPR2AVPR1ACCKBR
SCHEMBL9414294 0.81 AVPR1A (0.47) AVPR2AVPR1ACCKBR

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