SCHEMBL6964426

SCHEMBL6964426

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4ccccc43)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.47
AVPR1A P37288 7/20 0.47
OXTR P30559 1/20 0.43
MTTP P55157 3/20 0.42
AVPR1B P47901 1/20 0.40

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
SCHEMBL6967025 0.91 AVPR2 (0.53) AVPR2AVPR1AOXTRMTTP
SCHEMBL6971215 0.89 AVPR2 (0.45) AVPR2AVPR1AOXTRMTTPAVPR1B
SCHEMBL6963025 0.88 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972475 0.85 AVPR2 (0.48) AVPR2AVPR1AOXTRMTTPAVPR1B
SCHEMBL6960416 0.85 AVPR1A (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6958676 0.83 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964270 0.83 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970821 0.83 AVPR1A (0.57) AVPR2AVPR1AMTTPAVPR1B
SCHEMBL6969840 0.81 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6967424 0.81 AVPR2 (0.46) AVPR2AVPR1AOXTRMTTPAVPR1B

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