SCHEMBL4722194

SCHEMBL4722194

COc1cncc(-c2nn(-c3cc(N4CCC(OC5CCCCO5)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.32
ACACB O00763 1/20 0.31
CYP11B1 P15538 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
SCHEMBL4722192 1.00 CYP11B2 (0.32) CYP11B2ACACBCYP11B1
SCHEMBL4722193 1.00 CYP11B2 (0.32) CYP11B2ACACBCYP11B1
SCHEMBL4722609 0.87 ABL1 (0.39) CYP11B2CYP11B1
SCHEMBL4722615 0.87 ABL1 (0.39) CYP11B2CYP11B1
SCHEMBL4723238 0.86 CYP11B1 (0.31) CYP11B2CYP11B1
SCHEMBL4723236 0.86 CYP11B1 (0.31) CYP11B2CYP11B1
SCHEMBL4723240 0.86 CYP11B1 (0.31) CYP11B2CYP11B1
SCHEMBL4724420 0.81 P2RX7 (0.35)
SCHEMBL4724414 0.81 P2RX7 (0.35)
SCHEMBL4722867 0.81 LIPG (0.37) ACACB

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