SCHEMBL8961719

SCHEMBL8961719

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.47
TP53 P04637 3/20 0.42
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
AVPR1A P37288 6/20 0.40
AVPR1B P47901 2/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
OXTR P30559 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
SCHEMBL6972648 0.94 AVPR2 (0.49) AVPR2TP53AVPR1AAVPR1BPDCD1
SCHEMBL6960384 0.91 AVPR2 (0.43) AVPR2TP53RAB9AAVPR1AAVPR1B
SCHEMBL6972403 0.90 AVPR2 (0.44) AVPR2TP53RAB9AAVPR1AAVPR1B
SCHEMBL6969281 0.90 AVPR1A (0.51) AVPR2TP53GAAAVPR1AAVPR1B
SCHEMBL6955558 0.88 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL6970615 0.85 AVPR1A (0.48) AVPR2TP53AVPR1A
SCHEMBL6972149 0.85 AVPR2 (0.45) AVPR2TP53AVPR1AAVPR1BLMNA
SCHEMBL6972475 0.84 AVPR2 (0.48) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL6967250 0.84 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL6960071 0.83 AVPR1A (0.53) AVPR2AVPR1AAVPR1BPDCD1CD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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