SCHEMBL2848294

SCHEMBL2848294

CCCc1c(OC(=O)NCCOc2ccccc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MC4R P32245 1/20 0.43
MAPT P10636 6/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2860461 0.87 TAAR1 (0.54) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2857965 0.86 TAAR1 (0.47) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2856513 0.85 TAAR1 (0.51) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2858371 0.85 SMN1; SMN2 (0.48) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2860099 0.85 TAAR1 (0.46) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2856900 0.84 MAPT (0.47) LMNAPKMMAPTGAATAAR1
SCHEMBL2856893 0.83 MAPT (0.43) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2852322 0.83 MAPT (0.44) LMNAPKMMAPTGAAALDH1A1
SCHEMBL2860231 0.82 CNR1 (0.50) LMNAPKMMAPTALDH1A1MTNR1A
SCHEMBL2856348 0.82 MAPT (0.46) LMNAPKMMAPTGAAALDH1A1

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