SCHEMBL6967016

SCHEMBL6967016

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.64
AVPR2 P30518 9/20 0.64
OXTR P30559 2/20 0.64

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
SCHEMBL6991132 0.94 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL6971391 0.90 AVPR2 (0.79) AVPR1AAVPR2OXTR
SCHEMBL6989484 0.88 AVPR2 (0.70) AVPR1AAVPR2OXTR
SCHEMBL5945610 0.88 AVPR2 (0.76) AVPR1AAVPR2OXTR
SCHEMBL6989758 0.87 AVPR1A (0.57) AVPR1AAVPR2OXTR
SCHEMBL7349185 0.86 AVPR1A (0.59) AVPR1AAVPR2OXTR
SCHEMBL6990495 0.85 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL6995083 0.85 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL7349014 0.84 AVPR1A (0.70) AVPR1AAVPR2OXTR
SCHEMBL6989274 0.83 AVPR2 (0.54) AVPR1AAVPR2OXTR

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