SCHEMBL2860461

SCHEMBL2860461

CCCc1c(OC(=O)NCCc2ccccc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
ABCB1 P08183 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.41
P2RX7 Q99572 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 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
SCHEMBL2856513 0.96 TAAR1 (0.51) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2856900 0.95 MAPT (0.47) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2857965 0.94 TAAR1 (0.47) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2860099 0.93 TAAR1 (0.46) TAAR1LMNAPKMMAPTGAA
SCHEMBL2850361 0.91 ABCB1 (0.48) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2850486 0.91 MAPT (0.46) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2848346 0.90 MAPT (0.55) TAAR1LMNAPKMMAPTRAB9A
SCHEMBL2857882 0.90 MAPT (0.43) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2860396 0.89 GAA (0.52) TAAR1LMNAPKMABCB1MAPT
SCHEMBL2852485 0.89 ABCB1 (0.50) TAAR1LMNAPKMABCB1MAPT

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