SCHEMBL6964971

SCHEMBL6964971

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.48
AVPR1A P37288 12/20 0.48
AVPR1B P47901 8/20 0.48
ABCB11 O95342 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM1 P11229 1/20 0.37
OXTR P30559 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL8961772 0.91 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6967250 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL6968601 0.89 AVPR2 (0.50) AVPR2AVPR1AAVPR1BABCB11HTR1A
SCHEMBL6972648 0.86 AVPR2 (0.49) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6960321 0.86 AVPR1A (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL6972403 0.84 AVPR2 (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL6972149 0.84 AVPR2 (0.45) AVPR2AVPR1AAVPR1B
SCHEMBL6970791 0.83 AVPR2 (0.49) AVPR2AVPR1AAVPR1BABCB11HTR1A
SCHEMBL6957577 0.81 AVPR1A (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL8961719 0.81 AVPR2 (0.47) AVPR2AVPR1AAVPR1BOXTR

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 2 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