SCHEMBL9944032

SCHEMBL9944032

O=C(NCc1cncs1)OCCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.49
GPR142 Q7Z601 7/20 0.42

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
SCHEMBL4248662 0.85 CYP3A4 (0.41) CYP3A4
SCHEMBL893728 0.83 CYP3A4 (0.47) CYP3A4
SCHEMBL272602 0.70 CYP3A4 (0.87) CYP3A4
SCHEMBL272603 0.70 CYP3A4 (0.87) CYP3A4
SCHEMBL4255739 0.70 CYP3A4 (0.49) CYP3A4
SCHEMBL893726 0.70 CYP3A4 (0.51) CYP3A4
SCHEMBL9944031 0.69 GPR142 (0.44) CYP3A4GPR142
SCHEMBL9943685 0.68 CYP3A4 (0.47) CYP3A4
SCHEMBL4253307 0.67 GPR142 (0.37) CYP3A4GPR142
SCHEMBL893563 0.66 CYP3A4 (0.49) CYP3A4

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
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed