SCHEMBL8719950

SCHEMBL8719950

CCOc1ccc([C@H](C)C(N)N2CC[C@H](O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 9/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8720343 0.86 DPP4 (0.45) OPRM1
SCHEMBL8717426 0.81 DPP4 (0.40) LMNAOPRM1
SCHEMBL8717613 0.81 DPP4 (0.35)
SCHEMBL8716987 0.81 GRIN2B (0.43) LMNAALDH1A1CYP2D6RAB9A
SCHEMBL8717605 0.80 DPP4 (0.46) MEN1KMT2A
SCHEMBL8719795 0.80 DPP7 (0.43) OPRM1
SCHEMBL6425485 0.80 KCNA3 (0.44) OPRM1CYP2D6
SCHEMBL8717438 0.77 DPP4 (0.48)
SCHEMBL8719817 0.73 ADRA2A (0.42) OPRM1ALDH1A1HTTMEN1CYP2D6
SCHEMBL8719914 0.72 CHRM2 (0.40) OPRM1

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-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed