SCHEMBL6964840

SCHEMBL6964840

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)N4CCN(C)CC4)C(=O)CC3C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.47
AVPR1A P37288 8/20 0.42
OXTR P30559 1/20 0.42
AVPR1B P47901 2/20 0.42
CCKBR P32239 2/20 0.42
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6965490 0.88 AVPR2 (0.46) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965665 0.86 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972433 0.85 AVPR2 (0.54) AVPR2AVPR1AOXTRCCKBRCYP2C9
SCHEMBL6701281 0.85 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964067 0.84 AVPR2 (0.47) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6972071 0.83 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970484 0.83 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966950 0.82 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1BCYP2C9
SCHEMBL6970694 0.81 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1BCYP2C9
SCHEMBL6959290 0.81 AVPR2 (0.52) 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