SCHEMBL6971372

SCHEMBL6971372

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.86
AVPR2 P30518 4/20 0.86
AVPR1B P47901 2/20 0.86
ABCB11 O95342 1/20 0.86
HTR1A P08908 1/20 0.86
CHRM1 P11229 1/20 0.86
OXTR P30559 1/20 0.86
SLC6A4 P31645 1/20 0.86
ADRA1A P35348 1/20 0.86
OPRM1 P35372 1/20 0.86

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
Mozavaptan SCHEMBL15084884 0.93 AVPR1A (1.00) AVPR1AAVPR2AVPR1BABCB11HTR1A
Mozavaptan SCHEMBL29388889 0.93 AVPR1A (1.00) AVPR1AAVPR2AVPR1BABCB11HTR1A
Mozavaptan SCHEMBL1649322 0.93 AVPR1A (1.00) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL6969649 0.92 AVPR1A (0.77) AVPR1AAVPR2AVPR1BABCB11HTR1A
Mozavaptan SCHEMBL29872549 0.92 AVPR1A (0.98) AVPR1AAVPR2AVPR1BABCB11HTR1A
Mozavaptan SCHEMBL1111095 0.92 AVPR1A (0.98) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL6966369 0.90 AVPR2 (0.77) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL6964282 0.88 AVPR2 (0.85) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7352047 0.87 AVPR1A (0.82) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7345319 0.86 AVPR1A (0.81) AVPR1AAVPR2AVPR1BABCB11HTR1A

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