SCHEMBL4748600

SCHEMBL4748600

CCCOC1CCCC(N2CCC(Nc3cc(C)cc(F)c3[N+](=O)[O-])CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL4748591 1.00 GPR119 (0.32) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4748594 1.00 GPR119 (0.32) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2278313 0.89 MAPT (0.34) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2278310 0.89 MAPT (0.34) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4745758 0.85 DPP4 (0.33) HRH3DPP4DPP8DPP9DPP7
SCHEMBL4745761 0.85 DPP4 (0.33) HRH3DPP4DPP8DPP9DPP7
SCHEMBL4745762 0.85 DPP4 (0.33) HRH3DPP4DPP8DPP9DPP7
SCHEMBL4748676 0.84 MAPT (0.37) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL4748672 0.84 MAPT (0.37) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL4748675 0.84 MAPT (0.37) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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
WO-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed