SCHEMBL5350108

SCHEMBL5350108

Fc1ccc(-c2cn3cc(-c4cccc(C(F)(F)F)c4)cnc3n2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.47
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL5341562 0.87 NR3C1 (0.49) GRM5NR3C1PGRTDP1KDM4E
SCHEMBL5340807 0.80 NR4A2 (0.52) GRM5KDM4EALDH1A1MAOB
SCHEMBL5350061 0.74 TDP1 (0.39) GRM5NR3C1PGRTDP1ALDH1A1
SCHEMBL5343294 0.72 GRIN1 (0.42) GRM5NR3C1PGRTDP1MAOB
SCHEMBL15392753 0.72 IDO1 (0.44) NR3C1PGRTDP1KDM4EALDH1A1
SCHEMBL11470852 0.71 MAOB (0.46) KDM4EALDH1A1MAOB
SCHEMBL5343214 0.70 TDP1 (0.47) NR3C1PGRTDP1KDM4EALDH1A1
SCHEMBL5342580 0.69 TDP1 (0.47) NR3C1PGRTDP1KDM4EALDH1A1
SCHEMBL5343215 0.69 ADORA2A (0.45) GRM5KDM4EALDH1A1
SCHEMBL5324596 0.68 TDP1 (0.46) NR3C1PGRTDP1KDM4EALDH1A1

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-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed