SCHEMBL6957385

SCHEMBL6957385

CCOC(=O)C(C)N1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.52
AVPR2 P30518 6/20 0.52
OXTR P30559 2/20 0.49

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
SCHEMBL6964933 0.90 AVPR1A (0.55) AVPR1AAVPR2OXTR
SCHEMBL6970366 0.85 AVPR2 (0.53) AVPR1AAVPR2OXTR
SCHEMBL6970160 0.84 AVPR2 (0.53) AVPR1AAVPR2OXTR
SCHEMBL6960448 0.83 AVPR2 (0.53) AVPR1AAVPR2OXTR
SCHEMBL6957817 0.82 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL8961735 0.81 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL6966646 0.80 AVPR1A (0.56) AVPR1AAVPR2OXTR
SCHEMBL6965505 0.80 AVPR2 (0.48) AVPR1AAVPR2OXTR
SCHEMBL9414288 0.80 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL6955335 0.80 CYP2D6 (0.47) AVPR1AAVPR2OXTR

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