SCHEMBL3783256

SCHEMBL3783256

NCc1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.58
SMO Q99835 12/20 0.58
PGR P06401 2/20 0.53

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
SCHEMBL1360932 0.85 SMO (0.61) NR3C1SMOPGR
SCHEMBL5135413 0.82 CYP11B2 (0.71) NR3C1PGR
SCHEMBL4853828 0.80 SMO (0.59) NR3C1SMOPGR
SCHEMBL29573526 0.80 NR3C1 (0.62) NR3C1SMOPGR
SCHEMBL1361065 0.80 NR3C1 (0.62) NR3C1SMOPGR
SCHEMBL28782071 0.79 NR3C1 (0.42) NR3C1SMOPGR
SCHEMBL22225746 0.78 NR3C1 (0.74) NR3C1PGR
SCHEMBL443024 0.77 NR3C1 (0.62) NR3C1SMOPGR
SCHEMBL413100 0.77 NR3C1 (0.62) NR3C1SMOPGR
SCHEMBL3011613 0.77 NR3C1 (0.62) NR3C1SMOPGR

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
WO-2010082044-A1 UNSATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-22 WO disclosed