SCHEMBL19041083

SCHEMBL19041083

C=C(CC(C)CC)N1CCC(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ DPP4 P27487 5/20 0.30
▸ DPP8 Q6V1X1 2/20 0.30
▸ DPP9 Q86TI2 2/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL19239929 0.85 PTPN1 (0.36) GAAALDH1A1OPRM1OPRL1
SCHEMBL18161032 0.81 GAA (0.33) GAAALDH1A1OPRM1OPRL1DPP4
SCHEMBL26316144 0.76 DPP4 (0.32) GAADPP4
SCHEMBL19239928 0.76 KDM5A (0.32) GAA
SCHEMBL19999715 0.75 KDM5A (0.33) GAAALDH1A1
SCHEMBL681442 0.72 CPN1 (0.33) ALDH1A1
SCHEMBL21431247 0.72 GAA (0.34) GAAOPRL1
SCHEMBL21573595 0.71 MEN1 (0.31) ALDH1A1
SCHEMBL17995186 0.71 CCR2 (0.33) GAAALDH1A1OPRL1DPP4DPP8
SCHEMBL17540515 0.70 KDM4E (0.32) ALDH1A1

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-2842576-B1 Transglutaminase mediated conjugation of peptides NOVO NORDISK HEALTHCARE AG (CH) 2017-06-28 — — EP disclosed
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