SCHEMBL6586715

SCHEMBL6586715

NC1CCN(C(C(=O)N2CCCCC2)C2CCNCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
DPP4 P27487 14/20 0.36
DPP7 Q9UHL4 6/20 0.36
HPGD P15428 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31

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
SCHEMBL6584313 0.99 DPP4 (0.37) CA2CHKADPP4DPP7CACNA2D1
Hydrochloric Acid SCHEMBL5410658 0.81 CA2 (0.44) CA2CHKADPP4DPP7
SCHEMBL6585188 0.80 CPN1 (0.34) DPP4CACNA2D1CACNA1BCACNB1
SCHEMBL6584546 0.80 SLC6A2 (0.35) DPP4CACNA2D1CACNA1BCACNB1
SCHEMBL6586743 0.77 CPN1 (0.32) DPP4
SCHEMBL6586012 0.75 SMYD3 (0.32) DPP4
SCHEMBL6585899 0.75 SLC6A3 (0.43) DPP4
SCHEMBL6586538 0.75 CTSK (0.43) CA2HPGD
SCHEMBL7839828 0.73 OPRD1 (0.38) CACNA2D1CACNA1BCACNB1
SCHEMBL7266151 0.73 NOS2 (0.31) HPGD

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