SCHEMBL7341850

SCHEMBL7341850

C[C@H]1C(=O)NCCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.42
DPP8 Q6V1X1 4/20 0.42
HSD17B10 Q99714 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
HPGD P15428 1/20 0.38
CCR2 P41597 1/20 0.38
PARP1 P09874 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
SCHEMBL3995391 0.96 DPP4 (0.43) DPP4DPP8HSD17B10DPP7PARP1
SCHEMBL14850713 0.90 MAPK1 (0.41) DPP4HSD17B10PARP1
SCHEMBL1343400 0.90 MAPK1 (0.41) DPP4HSD17B10PARP1
SCHEMBL19474636 0.90 MAPK1 (0.41) DPP4HSD17B10PARP1
SCHEMBL22128107 0.78 HSD17B10 (0.41) HSD17B10HPGDPARP1
SCHEMBL22120434 0.78 HSD17B10 (0.41) HSD17B10HPGDPARP1
SCHEMBL4766170 0.76 HSD17B10 (0.42) HSD17B10HPGD
SCHEMBL3805159 0.76 HSD17B10 (0.42) HSD17B10HPGD
SCHEMBL17596640 0.75 MAPK1 (0.41) HSD17B10PARP1
SCHEMBL17596585 0.75 MAPK1 (0.41) HSD17B10PARP1

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
WO-1992022279-A2 N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS G.D. SEARLE & CO. (US) 1992-12-23 WO disclosed
EP-0518216-A2 N-/Arylethyl/-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivatives for CNS disorders G.D. Searle & Co. (US) 1992-12-16 EP disclosed