SCHEMBL5283636

SCHEMBL5283636

CC1CN(c2c(F)cc3c(=O)c(OC(=O)NCc4ccc(Cl)cc4Cl)cn(C4CC4)c3c2Cl)CC(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
ALDH1A1 P00352 3/20 0.43
OPRM1 P35372 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PRKD3 O94806 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 7/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5242516 0.92 KDM4E (0.51) POLBALDH1A1OPRM1KCNH2KDM4E
SCHEMBL5273861 0.90 KDM4E (0.42) POLBALDH1A1OPRM1KCNH2KDM4E
SCHEMBL1006277 0.89 POLB (0.48) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL12917277 0.89 POLB (0.48) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL5164103 0.87 ALDH1A1 (0.43) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL5178500 0.85 KDM4E (0.49) POLBALDH1A1OPRM1KCNH2KDM4E
SCHEMBL1973355 0.85 P2RX7 (0.42) P2RX7
SCHEMBL5284756 0.84 KDM4E (0.41) POLBALDH1A1OPRM1KCNH2KDM4E
SCHEMBL5274263 0.83 ALDH1A1 (0.40) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL5167050 0.82 P2RX7 (0.41) POLBALDH1A1OPRM1KCNH2KDM4E

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-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed