SCHEMBL6831433

SCHEMBL6831433

O=C(O)N(Cc1ccc(F)cc1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPRB P23467 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
MAPK14 Q16539 4/20 0.46
RAB9A P51151 1/20 0.46
CETP P11597 1/20 0.45
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL6827496 0.92 RAB9A (0.53) LTB4R2MEN1KMT2APTPRBRAB9A
SCHEMBL4734260 0.91 LTB4R2 (0.64) LTB4R2MEN1KMT2APTPRBRAB9A
SCHEMBL4089396 0.90 CHRM2 (0.52) LTB4R2MEN1KMT2APTPRBPTGDR2
SCHEMBL4677800 0.89 LTB4R2 (0.50) LTB4R2MEN1KMT2APTPRBPTGDR2
SCHEMBL6830534 0.88 LTB4R2 (0.50) LTB4R2MEN1KMT2APTPRBRAB9A
SCHEMBL4237307 0.86 ALDH1A1 (0.54) LTB4R2MEN1KMT2AMAPK14RAB9A
SCHEMBL4079862 0.86 CHRM2 (0.55) LTB4R2MEN1KMT2APTPRBRAB9A
SCHEMBL4740647 0.80 GAA (0.49) LTB4R2MEN1KMT2ANR1H4
SCHEMBL4244213 0.80 KDM4E (0.48) LTB4R2PTPRBPTGDR2RAB9ACETP
SCHEMBL28229571 0.80 LTB4R2 (0.60) LTB4R2MEN1KMT2APTPRBMAPK14

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-1461336-A2 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-09-29 EP disclosed
WO-2003053966-A2 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-07-03 WO disclosed