SCHEMBL6959609

SCHEMBL6959609

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CC(=O)N(CC(=O)OC(C)(C)C)c4ccccc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.50
AVPR1A P37288 5/20 0.45
OXTR P30559 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6968495 0.88 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6964828 0.84 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6965665 0.83 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL7079719 0.83 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6960423 0.83 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6971296 0.82 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL6966540 0.82 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL6972489 0.81 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL6963025 0.80 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6966098 0.79 AVPR2 (0.55) AVPR2AVPR1AOXTR

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