SCHEMBL27716745

SCHEMBL27716745

CC(C)CCOC(=O)C1(c2ccc(C#N)cc2Cl)CCc2cncn21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 0.74
CYP19A1 P11511 2/20 0.74
CYP11B1 P15538 3/20 0.33
P2RX7 Q99572 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
SCHEMBL1038520 0.91 CYP11B2 (0.73) CYP11B2CYP19A1CYP11B1
SCHEMBL31326495 0.89 CYP11B2 (0.75) CYP11B2CYP19A1CYP11B1
SCHEMBL1037525 0.88 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1
SCHEMBL1041216 0.87 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1
SCHEMBL1040100 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1
SCHEMBL1039095 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1
SCHEMBL1040315 0.84 CYP11B2 (0.69) CYP11B2CYP19A1CYP11B1P2RX7
SCHEMBL1040314 0.83 CYP11B2 (0.67) CYP11B2CYP19A1CYP11B1
SCHEMBL13563942 0.82 CYP11B2 (0.80) CYP11B2CYP19A1CYP11B1
SCHEMBL1041635 0.82 CYP11B2 (0.79) CYP11B2CYP19A1CYP11B1

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
CN-101248078-A Fused imidazo derivatives inhibiting aldosterone synthase and aromatase NOVARTIS AG (CH) 2008-08-20 CN disclosed