SCHEMBL2860099

SCHEMBL2860099

CCCc1c(OC(=O)NCCCCc2ccccc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 5/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ASAH1 Q13510 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL2857965 0.97 TAAR1 (0.47) TAAR1LMNAPKMMAPTGAA
SCHEMBL2860461 0.93 TAAR1 (0.54) TAAR1LMNAPKMMAPTGAA
SCHEMBL2857176 0.93 ALDH1A1 (0.46) MAPTGAAKMT2AALDH1A1ASAH1
SCHEMBL2856513 0.89 TAAR1 (0.51) TAAR1LMNAPKMMAPTGAA
SCHEMBL2856900 0.88 MAPT (0.47) TAAR1LMNAPKMMAPTGAA
SCHEMBL2850361 0.87 ABCB1 (0.48) TAAR1LMNAPKMMAPTGAA
SCHEMBL2848294 0.85 LMNA (0.45) TAAR1LMNAPKMMAPTGAA
SCHEMBL2860396 0.85 GAA (0.52) TAAR1LMNAPKMMAPTGAA
SCHEMBL2850486 0.85 MAPT (0.46) TAAR1LMNAPKMMAPTGAA
SCHEMBL2848346 0.84 MAPT (0.55) TAAR1LMNAPKMMAPTTP53

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 claimed