SCHEMBL7410019

SCHEMBL7410019

CC[C@H](C)[C@H](N)C(=O)CNc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.45
DPP9 Q86TI2 3/20 0.45
DPP7 Q9UHL4 2/20 0.44
DPP4 P27487 1/20 0.44
FDPS P14324 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CXCR4 P61073 1/20 0.40
CYP2C19 P33261 1/20 0.39
FABP1 P07148 1/20 0.39
FABP6 P51161 1/20 0.39
ITGB3 P05106 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
SCHEMBL13588768 0.81 ALDH1A1 (0.50) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL3890657 0.81 POLB (0.57) ALDH1A1GAAPOLBNPC1PKM
SCHEMBL3709832 0.78 GAA (0.55) DPP8DPP9DPP7DPP4ALDH1A1
SCHEMBL7359301 0.73 DPP8 (0.45) DPP8DPP9DPP7DPP4ALDH1A1
SCHEMBL7359295 0.73 DPP8 (0.45) DPP8DPP9DPP7DPP4ALDH1A1
SCHEMBL2857962 0.73 GAA (0.55) FDPSALDH1A1GAANPC1PKM
SCHEMBL13589538 0.73 GAA (0.55) FDPSALDH1A1GAANPC1PKM
SCHEMBL22338149 0.73 GAA (0.51) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL9722609 0.72 GAA (0.58) FDPSALDH1A1GAANPC1PKM
SCHEMBL534155 0.71 GAA (0.56) FDPSALDH1A1GAANPC1PKM

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-0349570-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1990-01-10 EP disclosed
WO-1988007053-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1988-09-22 WO disclosed