SCHEMBL5048704

SCHEMBL5048704

c1cc(CCCSCC2CCNCC2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
HRH1 P35367 2/20 0.37
GBA1 P04062 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 1/20 0.36
HIF1A Q16665 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5048684 0.91 CYP1A2 (0.46) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4325779 0.80 HRH3 (0.54) HRH1GBA1HRH3HRH4LOXL2
SCHEMBL3681167 0.78 HRH3 (0.49) HRH1GBA1HRH3HRH4
SCHEMBL4708456 0.76 HRH3 (0.51) CYP2D6GBA1HRH3HRH4LOXL2
SCHEMBL27747846 0.73 KEAP1 (0.36) HRH1HRH3KEAP1NFE2L2LOXL2
SCHEMBL10774121 0.73 HRH3 (0.43) HRH1HRH3HRH4
SCHEMBL2109582 0.72 GBA1 (0.66) CYP2D6GBA1HRH3HRH4HPGD
Hydrochloric Acid SCHEMBL1550607 0.71 GBA1 (0.63) CYP2D6GBA1HRH3HRH4
SCHEMBL387442 0.70 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL5052270 0.70 NMT1 (0.40) CYP2D6CYP3A4CYP2C9HRH1HRH3

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