SCHEMBL8961802

SCHEMBL8961802

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.62
AVPR1A P37288 5/20 0.61
OXTR P30559 2/20 0.56

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
SCHEMBL7087152 0.89 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL6966646 0.84 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL8961662 0.83 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL6967016 0.82 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL6971391 0.82 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL6965061 0.80 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL31098868 0.80 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL6963125 0.79 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL31098829 0.79 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL6966031 0.79 AVPR2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed