SCHEMBL6969714

SCHEMBL6969714

COc1ccc2c(c1)N(CC(=O)O)C(=O)CCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.49
AVPR1A P37288 11/20 0.49
OXTR P30559 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
AVPR1B P47901 4/20 0.46

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
SCHEMBL6964270 0.92 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964643 0.92 AVPR2 (0.57) AVPR2AVPR1AOXTRPOLBGAA
SCHEMBL8961680 0.90 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6963025 0.90 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965369 0.89 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6958676 0.89 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969840 0.89 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961713 0.87 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964828 0.85 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6973411 0.85 AVPR2 (0.61) 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