SCHEMBL5048787

SCHEMBL5048787

O=C(SC1CCNCC1)c1cc2ccncc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
NAMPT P43490 2/20 0.45
RBP4 P02753 1/20 0.42
DAO P14920 1/20 0.42
MAOB P27338 1/20 0.41
IKBKB O14920 2/20 0.40
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CHUK O15111 1/20 0.38
CNR2 P34972 1/20 0.37
MAP2K1 Q02750 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TNKS O95271 1/20 0.36
PRKCZ Q05513 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CDC7 O00311 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
SCHEMBL390050 0.78 NAMPT (0.50) HRH4NAMPTRBP4KEAP1NFE2L2
SCHEMBL29414290 0.72 DAO (0.58) HRH4RBP4DAODRD2DRD3
SCHEMBL1895337 0.72 DAO (0.58) HRH4RBP4DAODRD2DRD3
SCHEMBL30903100 0.70 HRH4 (0.59) HRH4NAMPTRBP4DAODRD2
SCHEMBL1884988 0.70 HRH4 (0.56) HRH4RBP4DAODRD2DRD3
SCHEMBL4273622 0.70 HRH4 (0.59) HRH4NAMPTRBP4DAODRD2
Hydrochloric Acid SCHEMBL29228902 0.70 DAO (0.56) HRH4RBP4DAODRD2DRD3
SCHEMBL23212302 0.69 HRH4 (0.55) HRH4NAMPTRBP4DAODRD2
SCHEMBL4268970 0.69 MLLT1 (0.60) HRH4NAMPTCNR2TNKSHDAC3
SCHEMBL4272043 0.68 MLLT1 (0.58) HRH4NAMPTCNR2TNKSHDAC3

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