SCHEMBL8713003

SCHEMBL8713003

CNCC(=O)NC1CCCc2ccccc2N1C(=O)c1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.58
AVPR1A P37288 7/20 0.58
OXTR P30559 1/20 0.58

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
SCHEMBL8719606 0.87 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8715632 0.85 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL9838243 0.84 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL8719656 0.82 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8713944 0.77 NPC1 (0.41)
SCHEMBL7351096 0.76 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL7349922 0.76 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL7351740 0.74 AVPR2 (0.94) AVPR2AVPR1AOXTR
SCHEMBL7350019 0.74 HSD11B1 (0.43) AVPR2AVPR1AOXTR
SCHEMBL8558906 0.74 AVPR2 (0.71) 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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed