SCHEMBL6967699

SCHEMBL6967699

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3C)cc2Cl)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.44
AVPR2 P30518 14/20 0.43
TP53 P04637 2/20 0.41
THRB P10828 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
SCHEMBL6970615 0.91 AVPR1A (0.48) AVPR1AAVPR2TP53THRB
SCHEMBL6965212 0.90 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL6959421 0.89 AVPR2 (0.42) AVPR1AAVPR2TP53THRB
SCHEMBL6970774 0.87 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL6960384 0.86 AVPR2 (0.43) AVPR1AAVPR2TP53
SCHEMBL6970160 0.82 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL6971762 0.82 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL6970232 0.81 AVPR1A (0.47) AVPR1AAVPR2TP53
SCHEMBL6964926 0.81 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL6955558 0.80 AVPR2 (0.50) AVPR1AAVPR2

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