SCHEMBL6966540

SCHEMBL6966540

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.49
AVPR1A P37288 8/20 0.46
OXTR P30559 1/20 0.46
AVPR1B P47901 3/20 0.43

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
SCHEMBL6701281 0.90 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971132 0.88 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969201 0.88 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6967669 0.88 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970466 0.88 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972071 0.87 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970484 0.87 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971368 0.86 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
Iodide SCHEMBL6965358 0.86 AVPR2 (0.51) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961669 0.85 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B

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