SCHEMBL8307614

SCHEMBL8307614

C[C@@H](C(=O)O)N(C)C(=O)C1CCN(c2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
NPY5R Q15761 1/20 0.45
CYP46A1 Q9Y6A2 6/20 0.43
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 2/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5798534 0.78 NOTUM (0.59) GPR119NOTUMCHRNB2CHRNA4CHRNB4
SCHEMBL8312595 0.78 GPR119 (0.50) GPR119NPY5RCYP46A1NPC1GAA
SCHEMBL6502064 0.78 GPR119 (0.50) GPR119NPY5RCYP46A1NPC1GAA
SCHEMBL30663949 0.74 GPR119 (0.53) GPR119NOTUMCHRNB2CHRNA4CHRNB4
SCHEMBL31516268 0.74 NOTUM (0.71) NOTUMCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4392645 0.74 GPR119 (0.53) GPR119NOTUMCHRNB2CHRNA4CHRNB4
SCHEMBL21828535 0.74 GPR119 (0.51) GPR119NPY5RCHRNB2CHRNA4CHRNB4
SCHEMBL31401347 0.74 KDM4E (0.61) GPR119NPY5RKMT2ACHRNB2CHRNA4
SCHEMBL30664035 0.74 KDM4E (0.61) GPR119NPY5RKMT2ACHRNB2CHRNA4
SCHEMBL12988214 0.71 CHRNB2 (0.51) GPR119CHRNB2CHRNA4CHRNB4CHRNA3

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed