SCHEMBL5048684

SCHEMBL5048684

c1cc(CCSCC2CCNCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP3A4 P08684 3/20 0.46
GBA1 P04062 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALPG P10696 2/20 0.40
HTT P42858 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL5048704 0.91 CYP2D6 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4708456 0.78 HRH3 (0.51) CYP2D6GBA1HRH3LOXL2
SCHEMBL4325779 0.76 HRH3 (0.54) GBA1HRH3LOXL2
SCHEMBL2109582 0.74 GBA1 (0.66) CYP2D6GBA1HPGDHRH3
SCHEMBL3681167 0.74 HRH3 (0.49) GBA1HRH3
SCHEMBL19514747 0.73 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL1550607 0.73 GBA1 (0.63) CYP2D6GBA1HRH3
SCHEMBL22922288 0.71 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL30732385 0.71 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5048693 0.71 HRH3 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4

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-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed