SCHEMBL8719656

SCHEMBL8719656

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCCC2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.66
AVPR1A P37288 7/20 0.66
OXTR P30559 1/20 0.66

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
SCHEMBL9838243 0.83 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL8712538 0.82 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8712329 0.82 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8713003 0.82 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8716058 0.81 AVPR1A (0.68) AVPR2AVPR1A
SCHEMBL8713805 0.80 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7351096 0.80 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL7351740 0.80 AVPR2 (0.94) AVPR2AVPR1AOXTR
SCHEMBL8712963 0.80 AVPR1A (0.69) AVPR2AVPR1AOXTR
SCHEMBL8558906 0.80 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