SCHEMBL6600415

SCHEMBL6600415

CC(C)C[C@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
SLC7A5 Q01650 1/20 0.39
CACNA1B Q00975 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
ARG1 P05089 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
SCHEMBL4678248 1.00 DPP4 (0.47) DPP4DPP8DPP9DPP7GNAI3
Hydrochloric Acid SCHEMBL5891805 0.85 GNAI3 (0.42) DPP4DPP8DPP9DPP7GNAI3
Hydrochloric Acid SCHEMBL5891732 0.85 GNAI3 (0.42) DPP4DPP8DPP9DPP7GNAI3
SCHEMBL13995145 0.85 DPP4 (0.45) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL20413342 0.85 DPP4 (0.45) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL5141641 0.84 GNAI3 (0.44) DPP4DPP7GNAI3GNAO1GNAI1
SCHEMBL6600870 0.84 DPP4 (0.44) DPP4DPP8DPP9DPP7GAA
SCHEMBL17152616 0.84 DPP4 (0.44) DPP4DPP8DPP9DPP7KMT2A
SCHEMBL4679523 0.84 DPP4 (0.44) DPP4DPP8DPP9DPP7GAA
Hydrochloric Acid SCHEMBL5142848 0.83 GNAI3 (0.47) DPP4DPP7GNAI3GNAO1GNAI1

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-1409479-A2 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003010160-A2 1-GLYCINYL-4 (METHYLPIPERIDIN-4-YL) PIPERAZINES AND -PIPERRIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-02-06 WO disclosed