SCHEMBL2860245

SCHEMBL2860245

COc1ccc(-n2cc(OC(=O)NCCc3c(Cl)cccc3Cl)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GCGR P47871 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BRAF P15056 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
EGFR P00533 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
DRD2 P14416 2/20 0.39

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
SCHEMBL2853269 0.91 GCGR (0.41) NPC1RAB9ATAAR1GAASMN1; SMN2
SCHEMBL2856396 0.91 TAAR1 (0.46) NPC1RAB9ATAAR1MEN1KMT2A
SCHEMBL2857726 0.89 TRPV1 (0.40) TAAR1SMN1; SMN2MEN1KMT2AGCGR
SCHEMBL2852169 0.89 TRPV1 (0.38) TAAR1GAAMEN1KMT2AGCGR
SCHEMBL2862833 0.87 NOTUM (0.38) NPC1RAB9ATAAR1GCGRALDH1A1
SCHEMBL2852542 0.85 GCGR (0.45) TAAR1GCGRTRPV1
SCHEMBL2857531 0.85 TAAR1 (0.52) NPC1RAB9ATAAR1GAASMN1; SMN2
SCHEMBL2858437 0.83 TAAR1 (0.42) NPC1RAB9ATAAR1GAASMN1; SMN2
SCHEMBL2850489 0.76 TAAR1 (0.53) NPC1RAB9ATAAR1GAASMN1; SMN2
SCHEMBL2853284 0.76 IDO1 (0.46) NPC1RAB9ATAAR1GAASMN1; SMN2

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