SCHEMBL5736086

SCHEMBL5736086

NCCCC[C@H](NC1CCCCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 17/20 0.57
▸ FOLH1 Q04609 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9181564 0.98 CPB2 (0.55) CPB2FOLH1
SCHEMBL9181567 0.98 CPB2 (0.55) CPB2FOLH1
SCHEMBL29635068 0.92 FOLH1 (0.50) CPB2FOLH1
SCHEMBL10611606 0.86 FOLH1 (0.44) CPB2FOLH1
SCHEMBL10611602 0.86 FOLH1 (0.44) CPB2FOLH1
SCHEMBL17453157 0.86 CPB2 (0.47) CPB2SMN1; SMN2
SCHEMBL22054642 0.86 CPB2 (0.47) CPB2SMN1; SMN2
SCHEMBL22054574 0.84 CPB2 (0.45) CPB2SMN1; SMN2
SCHEMBL5530162 0.84 SMN1; SMN2 (0.47) CPB2SMN1; SMN2
SCHEMBL2244922 0.79 EPHX2 (0.42) CPB2SMN1; SMN2

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-1112284-B1 PIPERAZINE-4-PHENYL DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 ASTRAZENECA AB (SE) 2006-04-19 — — EP claimed
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