SCHEMBL6972403

SCHEMBL6972403

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4ccccc43)cc2Cl)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.44
AVPR1A P37288 5/20 0.42
AVPR1B P47901 3/20 0.42
TP53 P04637 1/20 0.39
MAP3K7 O43318 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
CCKBR P32239 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6967250 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL9414294 0.90 AVPR1A (0.47) AVPR2AVPR1AAVPR1BTP53MAP3K7
SCHEMBL8961719 0.90 AVPR2 (0.47) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6968503 0.89 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL6960384 0.87 AVPR2 (0.43) AVPR2AVPR1AAVPR1BTP53POLB
SCHEMBL6967087 0.87 AVPR1A (0.47) AVPR2AVPR1AAVPR1BTP53MAP3K7
SCHEMBL6970774 0.87 AVPR2 (0.47) AVPR2AVPR1ACCKBRRAB9A
SCHEMBL6957577 0.84 AVPR1A (0.49) AVPR2AVPR1AAVPR1BMAP3K7CCKBR
SCHEMBL6964971 0.84 AVPR2 (0.48) AVPR2AVPR1AAVPR1B
SCHEMBL6972648 0.84 AVPR2 (0.49) AVPR2AVPR1AAVPR1BTP53LMNA

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