SCHEMBL2852630

SCHEMBL2852630

O=C(NCCc1ccc(F)cc1)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGER4 P35408 1/20 0.45
TCF4 P15884 1/20 0.45
CTNNB1 P35222 1/20 0.45
CCR3 P51677 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2852519 0.93 TAAR1 (0.59) TAAR1NPC1RAB9AGAAALDH1A1
SCHEMBL2859353 0.90 TAAR1 (0.66) TAAR1NPC1RAB9AGAALMNA
SCHEMBL2863128 0.89 TAAR1 (0.47) TAAR1NPC1RAB9AGAALMNA
SCHEMBL2848515 0.89 LMNA (0.50) NPC1RAB9ALMNAPTGER4TCF4
SCHEMBL2848393 0.86 TAAR1 (0.48) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL2854712 0.84 TAAR1 (0.54) TAAR1NPC1RAB9AGAAPLAAT3
SCHEMBL2852329 0.83 TAAR1 (0.49) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL2848658 0.83 LMNA (0.46) TAAR1NPC1RAB9AGAALMNA
SCHEMBL2857813 0.82 TAAR1 (0.55) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL2850420 0.82 TAAR1 (0.49) TAAR1NPC1RAB9AGAALMNA

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