SCHEMBL8719795

SCHEMBL8719795

C[C@@H](c1ccc(Cl)cc1)C(N)N1CC[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.43
DPP4 P27487 1/20 0.43
ADRB2 P07550 1/20 0.40
HSD11B1 P28845 2/20 0.38
SLC6A9 P48067 2/20 0.37
WDR91 A4D1P6 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL8717426 0.87 DPP4 (0.40) DPP7DPP4HSD11B1OPRM1OPRD1
SCHEMBL8717613 0.87 DPP4 (0.35) DPP7DPP4
SCHEMBL8716987 0.87 GRIN2B (0.43) DPP7DPP4SIGMAR1OPRK1
SCHEMBL8717605 0.86 DPP4 (0.46) DPP7DPP4HSD11B1
SCHEMBL6425485 0.85 KCNA3 (0.44) DPP7DPP4OPRM1OPRD1OPRK1
SCHEMBL8720343 0.83 DPP4 (0.45) DPP7DPP4HSD11B1OPRM1OPRD1
SCHEMBL8717438 0.82 DPP4 (0.48) DPP7DPP4HSD11B1
SCHEMBL8719950 0.80 HPGD (0.40) OPRM1
SCHEMBL8716792 0.77 ADRB2 (0.48) DPP7DPP4ADRB2OPRM1
SCHEMBL9132027 0.72 ADRA2A (0.48) HSD11B1SIGMAR1OPRK1

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