SCHEMBL6960416

SCHEMBL6960416

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4ccccc43)cc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.55
AVPR1B P47901 5/20 0.55
AVPR2 P30518 17/20 0.45
OXTR P30559 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL6972475 0.93 AVPR2 (0.48) AVPR1AAVPR1BAVPR2OXTRPDCD1
SCHEMBL7134697 0.91 AVPR2 (0.52) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6970821 0.90 AVPR1A (0.57) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6965585 0.90 AVPR1A (0.51) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6967424 0.88 AVPR2 (0.46) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6963025 0.88 AVPR2 (0.57) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6966347 0.86 AVPR2 (0.44) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6965230 0.86 AVPR1A (0.56) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6964426 0.85 AVPR2 (0.47) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6964270 0.84 AVPR2 (0.53) AVPR1AAVPR1BAVPR2OXTR

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed