SCHEMBL7710658

SCHEMBL7710658

COCCOCCOCC(=O)N1CCCC1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.45
▸ HTR1A P08908 6/20 0.42
▸ HTR7 P34969 6/20 0.42
▸ MVD P53602 2/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL16421615 0.84 MVD (0.41) DPP4HTR1AHTR7MVDSPHK1
SCHEMBL6830137 0.80 POLB (0.42) DPP4MVD
SCHEMBL6786825 0.79 MVD (0.57) MVDACE
SCHEMBL8097341 0.79 MVD (0.57) MVDACE
SCHEMBL6831054 0.78 POLB (0.45) DPP4HTR1A
SCHEMBL6827882 0.78 POLB (0.45) DPP4HTR1A
SCHEMBL6830216 0.78 POLB (0.45) DPP4HTR1A
SCHEMBL6830930 0.76 POLB (0.41) DPP4OPRM1
SCHEMBL28397270 0.76 MVD (0.43) DPP4MVDSPHK1ACE
SCHEMBL18155883 0.76 DPP4 (0.44) DPP4HTR1AHTR7SPHK1ACE

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-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 — — EP disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 — — WO disclosed
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