SCHEMBL4748158

SCHEMBL4748158

Clc1ccc(-c2cccc3c2C=Nc2cc(-c4nccs4)ccc2S3)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.34
PDPK1 O15530 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PORCN Q9H237 1/20 0.33
PRKDC P78527 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
CNR1 P21554 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
RHOA P61586 1/20 0.32
CYP2A6 P11509 1/20 0.32
HSD11B1 P28845 1/20 0.31
TRPM4 Q8TD43 1/20 0.31
CYP19A1 P11511 1/20 0.31
CTSA P10619 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
SCHEMBL4855914 0.80 GPR119 (0.33) GPR119CNR1TRPM4
SCHEMBL4748159 0.78 CNR1 (0.53) PTGDR2PDPK1LOXL2GPR119CNR1
SCHEMBL28487238 0.71 PDPK1 (0.52) PTGDR2PDPK1LOXL2CYP1A1CYP1A2
SCHEMBL4671450 0.70 LMNA (0.47) CNR1
SCHEMBL5576871 0.70 CNR1 (0.69) CNR1
SCHEMBL468046 0.68 PDPK1 (0.63) PDPK1LOXL2CYP1A1CYP1A2CYP1B1
SCHEMBL4746902 0.68 PHGDH (0.37) CNR1HRH4
SCHEMBL4668903 0.68 CNR1 (0.54) CNR1
SCHEMBL30668080 0.65 PDPK1 (0.60) PTGDR2PDPK1LOXL2CYP1A1CYP1A2
SCHEMBL468088 0.65 PDPK1 (0.60) PTGDR2PDPK1LOXL2CYP1A1CYP1A2

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-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed