SCHEMBL6972648

SCHEMBL6972648

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)O)c3ccccc32)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.49
AVPR1A P37288 8/20 0.42
AVPR1B P47901 2/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
TP53 P04637 1/20 0.39
OXTR P30559 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8961719 0.94 AVPR2 (0.47) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL6972149 0.91 AVPR2 (0.45) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6967250 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL6960071 0.89 AVPR1A (0.53) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL6964131 0.88 MEN1 (0.42) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL6966646 0.87 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL6964971 0.86 AVPR2 (0.48) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6960384 0.85 AVPR2 (0.43) AVPR2AVPR1AAVPR1BTP53
SCHEMBL6972475 0.84 AVPR2 (0.48) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL6972403 0.84 AVPR2 (0.44) 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