SCHEMBL9490133

SCHEMBL9490133

COC(=O)c1ccc(Cc2cn(C)c3ccc(CCNC(=O)N(C)C)cc23)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL9488408 0.93 PLA2G4A (0.50)
SCHEMBL9488613 0.90 CYSLTR2 (0.49)
SCHEMBL9488885 0.84 PLA2G4A (0.43)
SCHEMBL9489472 0.84 CPT1A (0.49)
SCHEMBL9488822 0.84
SCHEMBL9490124 0.83 MAPT (0.39) MEN1KMT2A
SCHEMBL8532687 0.83 CPT2 (0.53)
SCHEMBL10469188 0.83 CPT1A (0.49)
SCHEMBL9489888 0.83 KMT2A (0.46) MEN1KMT2A
SCHEMBL9488367 0.83 CYSLTR2 (0.62)

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
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed