SCHEMBL2856262

SCHEMBL2856262

CCCc1c(C(=O)NC2CCCC2)cnn1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPT P10636 5/20 0.59
MAPK1 P28482 4/20 0.59
GAA P10253 2/20 0.59
HSD11B1 P28845 2/20 0.58
FPR1 P21462 1/20 0.57
POLB P06746 2/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
MAPK14 Q16539 2/20 0.55
LMNA P02545 1/20 0.54
SPR P35270 1/20 0.54

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
SCHEMBL1402778 0.90 HSD11B1 (0.72) ALDH1A1MAPTMAPK1GAAHSD11B1
SCHEMBL1403425 0.89 HSD11B1 (0.56) ALDH1A1MAPTMAPK1GAAHSD11B1
SCHEMBL15889273 0.87 POLB (0.58) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL18016194 0.87 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL2850148 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL1402961 0.84 HSD11B1 (0.57) ALDH1A1MAPTMAPK1GAAHSD11B1
SCHEMBL316233 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1GAAHSD11B1
SCHEMBL2854511 0.82 SPR (0.64) MAPK1HSD11B1FPR1POLBCNR2
SCHEMBL2857348 0.81 SPR (0.54) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL316737 0.80 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1GAAPOLB

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