SCHEMBL12160406

SCHEMBL12160406

C[C@H](CO)NC(=O)c1ccc(OCCCC2CCNCC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.47
▸ ITGB3 P05106 9/20 0.46
▸ ITGA2B P08514 9/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL12160423 1.00 GPR119 (0.47) GPR119ITGB3ITGA2BCRBNHDAC4
SCHEMBL12160457 1.00 GPR119 (0.47) GPR119ITGB3ITGA2BCRBNHDAC4
SCHEMBL12160456 0.89 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL12106786 0.89 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL14621357 0.87 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL12160421 0.84 GPR119 (0.48) GPR119ITGB3ITGA2BCRBNSCN9A
SCHEMBL12160382 0.84 CRBN (0.51) GPR119ITGB3ITGA2BCRBNSCN9A
SCHEMBL12160488 0.83 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL1575678 0.83 GPR119 (0.64) GPR119
SCHEMBL12160463 0.83 GPR119 (0.47) GPR119ITGB3ITGA2BCRBNSCN9A

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-2383270-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-11-02 — — EP disclosed
WO-2007003962-A2 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 — — WO disclosed
Send feedback