SCHEMBL14211872

SCHEMBL14211872

CCc1cc(F)c(C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CYP11B2 P19099 8/20 0.33
CYP11B1 P15538 5/20 0.33
KIF11 P52732 2/20 0.33
ASPH Q12797 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL25164620 0.85 RXRA (0.38) ARRXRAGRIN1GRIN2BFFAR4
SCHEMBL20288406 0.79 MBOAT4 (0.45) ARASPHCTSSCTSK
SCHEMBL10233515 0.77 GPBAR1 (0.39) ARRXRAGRIN1GRIN2BALDH1A1
SCHEMBL21010496 0.77 AR (0.37) ARRXRAGRIN1GRIN2BASPH
SCHEMBL12329889 0.76 NOTUM (0.36) ARALDH1A1CTSSCTSK
SCHEMBL19485462 0.76 MBOAT4 (0.45) ARGPBAR1
SCHEMBL12828161 0.74 CYP11B2 (0.39) CYP11B2CYP11B1KIF11ASPH
SCHEMBL25994122 0.72 AR (0.62) AR
SCHEMBL20772336 0.69 PIK3CD (0.42) KIF11ASPH
SCHEMBL10272611 0.69 NOS3 (0.35) RXRAGRIN1GRIN2BGPBAR1

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
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed