SCHEMBL3401926

SCHEMBL3401926

COC(=O)c1cncn1C1c2cccc(Cl)c2C(=O)C1(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
CYP11B2 P19099 1/20 0.34
TRPV1 Q8NER1 5/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.32
ACLY P53396 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL3399750 0.80 IDO1 (0.35) IDO1CYP11B2TRPV1MAPK1TSHR
SCHEMBL2817705 0.78 CYP11B2 (0.45) IDO1CYP11B2MAPK1TSHRMAPT
SCHEMBL9497355 0.68 CYP11B2 (0.42) IDO1CYP11B2MAPK1TSHRMAPT
SCHEMBL2818227 0.64 CYP11B2 (0.58) IDO1CYP11B2MAPK1TSHRALDH1A1
SCHEMBL2821137 0.64 CYP11B2 (0.39) IDO1CYP11B2MAPK1TSHRMAPT
SCHEMBL2818670 0.63 CYP11B2 (0.45) IDO1CYP11B2MAPK1TSHRALDH1A1
SCHEMBL9493469 0.62 CYP11B2 (0.45) IDO1CYP11B2MAPK1TSHRALDH1A1
SCHEMBL9496956 0.61 CYP11B2 (0.47) IDO1CYP11B2MAPK1TSHRMAPT
SCHEMBL68341 0.61 CYP11B2 (0.47) IDO1CYP11B2MAPK1TSHRMAPT
SCHEMBL9493756 0.61 CYP11B2 (0.47) IDO1CYP11B2MAPK1TSHRMAPT

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-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed