SCHEMBL8961694

SCHEMBL8961694

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccc(C)cc5)cc4)c4ccccc43)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.72
AVPR1A P37288 6/20 0.68
OXTR P30559 1/20 0.68
AVPR1B P47901 4/20 0.62

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
SCHEMBL6989484 0.91 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972323 0.91 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL7087152 0.91 AVPR2 (0.71) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6955045 0.90 AVPR2 (0.85) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6963125 0.88 AVPR2 (0.69) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961692 0.87 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971545 0.86 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966369 0.85 AVPR2 (0.77) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968266 0.85 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7980104 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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