SCHEMBL13239402

SCHEMBL13239402

CS(=O)(=O)N1Cc2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2Cl)C[C@H]1CO

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.64
AVPR1A P37288 11/20 0.62

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
SCHEMBL2960734 0.93 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL13239401 0.93 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8268064 0.90 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL8266333 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL10323898 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL10323896 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8268067 0.85 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL8267072 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL3049449 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL1458283 0.84 AVPR2 (0.63) AVPR2AVPR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed