SCHEMBL7337679

SCHEMBL7337679

CC(C)(C)OC(=O)CN1CCC(C2CCN(c3ccc(C(N)=S)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.57
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.38
HTR4 Q13639 1/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL7337291 0.88 ITGB3 (0.56) GPR119ITGB3ITGA2BALOX15SMN1; SMN2
SCHEMBL3487761 0.83 GPR119 (0.82) GPR119ALDH1A1
SCHEMBL7338959 0.82 ITGB3 (0.40) GPR119ITGB3ITGA2BALOX15HTR4
SCHEMBL7337986 0.81 GPR119 (0.50) GPR119
SCHEMBL7345047 0.78 ITGB3 (0.39) ITGB3ITGA2BALOX15HTR4KCNH2
SCHEMBL7345347 0.78 ITGB3 (0.71) GPR119ITGB3ITGA2BALOX15MEN1
SCHEMBL7338384 0.76 ITGB3 (0.54) GPR119ITGB3ITGA2BALOX15MEN1
SCHEMBL7338379 0.76 ITGB3 (0.54) GPR119ITGB3ITGA2BALOX15MEN1
SCHEMBL7353169 0.75 ITGB3 (0.53) GPR119ITGB3ITGA2BALOX15SMN1; SMN2
SCHEMBL16824829 0.74 GFER (0.53) GPR119SMN1; SMN2MEN1ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO disclosed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed