SCHEMBL27769062

SCHEMBL27769062

CC(C)c1ccc(N(c2cc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)S(N)(=O)=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.45
TRPV1 Q8NER1 3/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIMK2 P53671 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL27747804 0.89 GPR119 (0.46) GPR119LIMK2TBK1SCN9A
SCHEMBL27747830 0.81 GPR119 (0.49) GPR119LIMK2TBK1
SCHEMBL386691 0.80 GPR119 (0.56) GPR119
SCHEMBL27734776 0.80 GPR119 (0.48) GPR119LIMK2TBK1
SCHEMBL5889155 0.75 GPR119 (0.53) GPR119TBK1
SCHEMBL4263363 0.74 GPR119 (0.51) GPR119LIMK2TBK1
SCHEMBL391299 0.73 GPR119 (0.46) GPR119MAPTLIMK2TBK1SCN9A
SCHEMBL388956 0.73 GPR119 (0.46) GPR119TBK1SCN9A
SCHEMBL391077 0.73 TBK1 (0.47) GPR119LIMK2TBK1SCN9A
SCHEMBL391594 0.72 GPR119 (0.51) GPR119LIMK2TBK1

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
CN-101420941-A Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, and related combination therapies ARENA PHARM INC (US) 2009-04-29 CN disclosed