SCHEMBL5163675

SCHEMBL5163675

O=C1CC2(CCCCC2)C(C(=O)O)(C(=O)O)C(=O)N1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2733229 0.98 DDB1 (0.31) DDB1CRBN
SCHEMBL2731767 0.84
SCHEMBL7672452 0.67 CTSK (0.32)
SCHEMBL3958832 0.65 CRBN (0.40) DDB1CRBN
SCHEMBL3825820 0.65 CRBN (0.40) DDB1CRBN
SCHEMBL278231 0.62 CRBN (0.41) DDB1CRBN
SCHEMBL1322984 0.61 CYP19A1 (0.36) DDB1CRBN
SCHEMBL4356813 0.61 CYP19A1 (0.36) DDB1CRBN
SCHEMBL30283454 0.61 TSHR (0.34) DDB1CRBN
SCHEMBL1325877 0.61 CYP19A1 (0.36) DDB1CRBN

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-1765770-A1 PROCESS FOR THE PREPARATION OF GABAPENTIN ZAMBON GROUP S.p.A. (IT) 2007-03-28 EP disclosed
WO-2006000562-A1 PROCESS FOR THE PREPARATION OF GABAPENTIN ZAMBON GROUP S.P.A. (IT) 2006-01-05 WO disclosed