SCHEMBL6957817

SCHEMBL6957817

CCOC(=O)CCCN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C)cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.52
AVPR1A P37288 4/20 0.52
OXTR P30559 1/20 0.47

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
SCHEMBL6960448 0.95 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6971785 0.90 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6970160 0.90 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6957168 0.87 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6966031 0.87 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6968029 0.86 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6969180 0.86 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6968625 0.85 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6970788 0.84 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6965212 0.84 AVPR2 (0.53) 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