SCHEMBL4723240

SCHEMBL4723240

COc1cncc(-c2nn(-c3cc(N4CCC(OC5CCCCO5)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP1A2 P05177 1/20 0.31
LCAT P04180 1/20 0.30

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
SCHEMBL4723238 1.00 CYP11B1 (0.31) CYP11B1CYP11B2CYP1A2LCAT
SCHEMBL4723236 1.00 CYP11B1 (0.31) CYP11B1CYP11B2CYP1A2LCAT
SCHEMBL4722193 0.86 CYP11B2 (0.32) CYP11B1CYP11B2
SCHEMBL4722192 0.86 CYP11B2 (0.32) CYP11B1CYP11B2
SCHEMBL4722194 0.86 CYP11B2 (0.32) CYP11B1CYP11B2
SCHEMBL4720793 0.79 LIPG (0.37)
SCHEMBL4720788 0.79 LIPG (0.37)
SCHEMBL4721540 0.79 LIPG (0.37)
SCHEMBL4721173 0.79 F10 (0.36)
SCHEMBL4766703 0.79 F10 (0.36)

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed