SCHEMBL6584313

SCHEMBL6584313

NC1CCN(C(C(=O)N2CCCC2)C2CCNCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.37
DPP7 Q9UHL4 6/20 0.37
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6586715 0.99 CA2 (0.38) DPP4DPP7CA2CHKACACNA2D1
SCHEMBL6584546 0.81 SLC6A2 (0.35) DPP4CACNA2D1CACNA1BCACNB1CPN1
SCHEMBL6585188 0.81 CPN1 (0.34) DPP4CACNA2D1CACNA1BCACNB1CPN1
Hydrochloric Acid SCHEMBL5410658 0.79 CA2 (0.44) DPP4DPP7CA2CHKACHRNB2
SCHEMBL6586743 0.78 CPN1 (0.32) DPP4CPN1CPB2
SCHEMBL6585899 0.77 SLC6A3 (0.43) DPP4CPN1CPB2
SCHEMBL6586012 0.77 SMYD3 (0.32) DPP4CPN1CPB2
SCHEMBL7839828 0.74 OPRD1 (0.38) CACNA2D1CACNA1BCACNB1CPN1CPB2
SCHEMBL7266151 0.74 NOS2 (0.31)
SCHEMBL6580665 0.74 NOS2 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076055-B1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO (JP) 2004-11-24 EP disclosed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 US disclosed
EP-1076055-A1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-02-14 EP disclosed