SCHEMBL6664034

SCHEMBL6664034

O=C(Nc1ccc2[nH]ccc2c1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
ESR1 P03372 2/20 0.53
CFTR P13569 1/20 0.51
SCN8A Q9UQD0 2/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
IDH1 O75874 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGES O14684 1/20 0.46
APOB P04114 1/20 0.46
MTTP P55157 1/20 0.46

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
SCHEMBL6800635 0.88 NPC1 (0.58) NPC1RAB9AMAPTESR1CFTR
SCHEMBL6669684 0.84 NPC1 (0.60) NPC1RAB9AMAPTCFTRMAOA
SCHEMBL7086631 0.79 NPC1 (0.54) NPC1RAB9ARXFP1APOBMTTP
SCHEMBL7133291 0.78 NPC1 (0.56) NPC1RAB9ATRPV1APOB
SCHEMBL6792746 0.78 PTGS1 (0.57) NPC1RAB9AAPOBMTTP
SCHEMBL6168385 0.78 ESR1 (0.82) NPC1RAB9AMAPTESR1TRPV1
SCHEMBL7087379 0.77 RXFP1 (0.57) NPC1RAB9ATRPV1RXFP1APOB
SCHEMBL4761937 0.76 NPC1 (1.00) NPC1RAB9AMAPTESR1CFTR
SCHEMBL31156451 0.76 NPC1 (1.00) NPC1RAB9AMAPTESR1CFTR
SCHEMBL6804147 0.76 NPC1 (0.58) NPC1RAB9AMAPTCFTRMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed