SCHEMBL6965490

SCHEMBL6965490

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)O)C(=O)CC3C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.46
AVPR1A P37288 12/20 0.45
OXTR P30559 1/20 0.44
LMNA P02545 1/20 0.43
AVPR1B P47901 1/20 0.43

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
SCHEMBL6972433 0.90 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6964840 0.88 AVPR2 (0.47) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6968495 0.84 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6963025 0.83 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965609 0.82 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL6958676 0.79 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964270 0.78 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969840 0.78 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969201 0.76 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6959609 0.75 AVPR2 (0.50) AVPR2AVPR1AOXTR

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