SCHEMBL6972475

SCHEMBL6972475

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4ccccc43)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.48
AVPR1A P37288 8/20 0.48
OXTR P30559 2/20 0.48
AVPR1B P47901 4/20 0.46
MTTP P55157 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 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
SCHEMBL6967424 0.95 AVPR2 (0.46) AVPR2AVPR1AOXTRAVPR1BMTTP
SCHEMBL6960416 0.93 AVPR1A (0.55) AVPR2AVPR1AOXTRAVPR1BPDCD1
SCHEMBL6966347 0.92 AVPR2 (0.44) AVPR2AVPR1AOXTRAVPR1BMTTP
SCHEMBL6957034 0.91 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1BMTTP
SCHEMBL6970821 0.91 AVPR1A (0.57) AVPR2AVPR1AAVPR1BMTTPPDCD1
SCHEMBL6963025 0.88 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971642 0.86 AVPR2 (0.50) AVPR2AVPR1AOXTRAVPR1BMTTP
SCHEMBL6965230 0.86 AVPR1A (0.56) AVPR2AVPR1AAVPR1BMTTPPDCD1
SCHEMBL6964426 0.85 AVPR2 (0.47) AVPR2AVPR1AOXTRAVPR1BMTTP
SCHEMBL8961667 0.85 AVPR2 (0.47) AVPR2AVPR1AOXTRAVPR1BMTTP

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