SCHEMBL8716985

SCHEMBL8716985

C[C@@H](c1ccc(F)cc1F)C(N)N1CC[C@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
DPP4 P27487 6/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 4/20 0.37
SLC6A2 P23975 1/20 0.37
ACKR3 P25106 1/20 0.35
NTRK1 P04629 4/20 0.35
NTRK3 Q16288 4/20 0.35
NTRK2 Q16620 4/20 0.35
MC4R P32245 1/20 0.35
OPRM1 P35372 1/20 0.34
KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL8717605 0.81 DPP4 (0.46) HSD11B1DPP4DPP8DPP9DPP7
SCHEMBL8719914 0.75 CHRM2 (0.40) DPP4DPP7OPRM1
SCHEMBL8719817 0.74 ADRA2A (0.42) OPRM1
SCHEMBL6425485 0.72 KCNA3 (0.44) DPP4DPP7OPRM1
SCHEMBL8716987 0.71 GRIN2B (0.43) DPP4DPP8DPP9DPP7SLC6A2
SCHEMBL8717613 0.71 DPP4 (0.35) DPP4DPP8DPP9DPP7
SCHEMBL8717426 0.71 DPP4 (0.40) HSD11B1DPP4DPP8DPP9DPP7
SCHEMBL8719795 0.70 DPP7 (0.43) HSD11B1DPP4DPP7OPRM1
SCHEMBL8717438 0.70 DPP4 (0.48) HSD11B1DPP4DPP8DPP7
SCHEMBL8720343 0.68 DPP4 (0.45) HSD11B1DPP4DPP8DPP7OPRM1

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