SCHEMBL7134697

SCHEMBL7134697

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)c(O)c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.52
AVPR1A P37288 11/20 0.50
AVPR1B P47901 7/20 0.50
OXTR P30559 2/20 0.39

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
SCHEMBL6957034 0.93 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6968185 0.91 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6960416 0.91 AVPR1A (0.55) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6971642 0.89 AVPR2 (0.50) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6971296 0.88 AVPR2 (0.65) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6959303 0.87 AVPR1A (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL6965585 0.87 AVPR1A (0.51) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6967409 0.86 AVPR2 (0.48) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6967025 0.86 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6973411 0.85 AVPR2 (0.61) 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 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