SCHEMBL5169316

SCHEMBL5169316

O=C(SC1CCN(C(=O)O)CC1)c1cc2cnccc2o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL389665 0.85 GPR119 (0.50) NAMPT
SCHEMBL391327 0.72 NAMPT (0.53) NAMPT
SCHEMBL4168814 0.71 PIM1 (0.60) NAMPTNPC1ALDH1A1HPGDPIM1
SCHEMBL2566220 0.68 PIM1 (0.46) NAMPTNPC1ALDH1A1RAB9APIM1
SCHEMBL5306565 0.68 TSHR (0.42) NAMPTNPC1ALDH1A1RAB9A
SCHEMBL3672386 0.68 CHRM2 (0.39) NAMPTALDH1A1SMN1; SMN2
SCHEMBL5133930 0.68 NAMPT (0.39) NAMPTNPC1ALDH1A1RAB9ADRD2
SCHEMBL2916873 0.67 PIM1 (0.44) NAMPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL27769053 0.66 DRD4 (0.36) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL1073075 0.66 POLB (0.40) ALDH1A1GFER

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