SCHEMBL6602806

SCHEMBL6602806

CN1CCC(C2CCN(C(=O)CN)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.57
GNAO1 P09471 8/20 0.57
GNAI1 P63096 8/20 0.57
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
BDKRB1 P46663 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
Hydrochloric Acid SCHEMBL6602236 0.98 GNAI3 (0.59) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL13655796 0.82 GNAI3 (0.58) GNAI3GNAO1GNAI1NCF1ALDH1A1
SCHEMBL1688129 0.81 CYP1A2 (0.52) CPN1CPB2SIGMAR1
SCHEMBL19203542 0.80 ACHE (0.50) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL4678853 0.80 L3MBTL3 (0.50) GNAI3GNAO1GNAI1CPN1CPB2
Hydrochloric Acid SCHEMBL25411067 0.79 CYP1A2 (0.50) CPN1CPB2SIGMAR1
Hydrochloric Acid SCHEMBL56070 0.79 CYP1A2 (0.50) CPN1CPB2SIGMAR1
SCHEMBL21280863 0.79 HTT (0.56) CPN1CPB2ALDH1A1
SCHEMBL5281838 0.78 GNAI3 (0.62) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL8284598 0.78 ALDH1A1 (0.64) CPN1CPB2ALDH1A1NPC1

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