SCHEMBL4397843

SCHEMBL4397843

C=C(O/N=C(\N)C(C)C)N1CCC(CCCOc2ccc(C(=O)O)c(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.42
▸ TEAD1 P28347 1/20 0.36
▸ TEAD3 Q99594 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAOB P27338 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
SCHEMBL1922555 0.81 GPR119 (0.48) GPR119TEAD1TEAD3BCHEMAOA
SCHEMBL2561511 0.80 GPR119 (0.61) GPR119
SCHEMBL4403110 0.80 MAOB (0.44) GPR119BCHEMAOAACHEMAOB
SCHEMBL13534689 0.78 GPR119 (0.49) GPR119
SCHEMBL1296310 0.77 GPR119 (0.63) GPR119
SCHEMBL1295563 0.73 GPR119 (0.47) GPR119BCHEMAOAACHEMAOB
SCHEMBL12103493 0.73 ITGB3 (0.53) —
SCHEMBL12283385 0.73 GPR119 (0.42) GPR119BCHEMAOAACHEMAOB
SCHEMBL1841877 0.73 GPR119 (0.47) GPR119
SCHEMBL1839393 0.73 GPR119 (0.46) GPR119TEAD1TEAD3BCHEMAOA

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
EP-2321308-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 — — EP disclosed
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