SCHEMBL2852200

SCHEMBL2852200

CCCc1c(C(=O)NC2CCc3ccccc32)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.51
CNR1 P21554 2/20 0.51
PDE2A O00408 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPK14 Q16539 1/20 0.46
MAPK1 P28482 2/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2857348 0.92 SPR (0.54) SPRPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL3395550 0.87 SPR (0.55) SPRTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL3391804 0.87 SPR (0.55) SPRTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL2860851 0.85 CNR1 (0.46) SPRCNR1PDE2ATAS1R3TAS1R1
SCHEMBL2857566 0.82 CNR1 (0.54) SPRCNR1PDE2ATAS1R3TAS1R1
SCHEMBL1403425 0.80 HSD11B1 (0.56) CNR1MAPTGAAALDH1A1MAPK14
SCHEMBL2850723 0.80 TAOK3 (0.47) ALDH1A1CNR2LMNA
SCHEMBL3395548 0.78 MAPT (0.49) MAPTGAAALDH1A1MAPK14MAPK1
SCHEMBL3391801 0.78 MAPT (0.49) MAPTGAAALDH1A1MAPK14MAPK1
SCHEMBL2079211 0.77 SPR (0.67) SPRPDE2ATAS1R3TAS1R1TAS1R2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed