SCHEMBL2857348

SCHEMBL2857348

CCCc1c(C(=O)NC2CCc3ccccc32)cnn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.54
PDE2A O00408 1/20 0.54
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 4/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.51
MAPK14 Q16539 2/20 0.50
LMNA P02545 1/20 0.49
NTRK1 P04629 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL2852200 0.92 SPR (0.51) SPRPDE2AALDH1A1MAPTMAPK1
SCHEMBL3391804 0.85 SPR (0.55) SPRALDH1A1MAPTGAAPOLB
SCHEMBL3395550 0.85 SPR (0.55) SPRALDH1A1MAPTGAAPOLB
SCHEMBL2079211 0.84 SPR (0.67) SPRPDE2AALDH1A1MAPTMAPK1
SCHEMBL2854713 0.83 NTRK1 (0.49) SPRPDE2AALDH1A1MAPTMAPK1
SCHEMBL2856262 0.81 ALDH1A1 (0.59) SPRALDH1A1MAPTMAPK1GAA
SCHEMBL2854682 0.81 ALDH1A1 (0.60) SPRPDE2AALDH1A1MAPTPOLB
SCHEMBL3390170 0.78 SPR (0.68) SPRPDE2AALDH1A1LMNANTRK1
SCHEMBL3394457 0.78 SPR (0.68) SPRPDE2AALDH1A1LMNANTRK1
SCHEMBL2850487 0.78 HTT (0.48) ALDH1A1MAPK1NTRK1TAS1R3TAS1R1

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