SCHEMBL6965944

SCHEMBL6965944

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC=C(CC(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.57
AVPR1A P37288 10/20 0.54
OXTR P30559 1/20 0.54
AVPR1B P47901 1/20 0.51

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
SCHEMBL6964360 0.92 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL6970066 0.88 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961694 0.82 AVPR2 (0.72) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989484 0.80 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7087152 0.80 AVPR2 (0.71) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6963025 0.78 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972323 0.78 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL6955045 0.77 AVPR2 (0.85) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972613 0.77 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8676451 0.77 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B

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