SCHEMBL9308313

SCHEMBL9308313

CCCCCCCCCCCCCCOc1cccc(CN(Cc2ccccn2)C(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
PLA2G4B P0C869 1/20 0.47
GGPS1 O95749 2/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMPD1 P17405 2/20 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
SCHEMBL9306473 0.88 HPGD (0.51) L3MBTL1
SCHEMBL9308154 0.80 HSD17B10 (0.52) PLA2G4BL3MBTL1
SCHEMBL9306665 0.80 SMPD1 (0.51) PLA2G4BSMPD1
SCHEMBL9307035 0.79 MAPT (0.44)
Iodide SCHEMBL9307611 0.78
SCHEMBL2189143 0.76 TRPM8 (0.47) L3MBTL1
SCHEMBL9306089 0.76 CA12 (0.52) CNR2
SCHEMBL9306979 0.76 HPGD (0.56) PLA2G4B
SCHEMBL2187238 0.76 L3MBTL1 (0.55) L3MBTL1
SCHEMBL19866341 0.75 EPHX2 (0.52) PPARACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed