SCHEMBL6586012

SCHEMBL6586012

CNC(=O)C(C1CCNCC1)N1CCC(N)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
DPP4 P27487 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL6584546 0.84 SLC6A2 (0.35) CPN1CPB2DPP4SLC6A2SLC6A4
SCHEMBL6585899 0.82 SLC6A3 (0.43) CPN1CPB2DPP4SLC6A2SLC6A4
SCHEMBL6585188 0.81 CPN1 (0.34) CPN1CPB2DPP4SLC6A2SLC6A4
SCHEMBL6586743 0.81 CPN1 (0.32) CPN1CPB2DPP4SLC6A2SLC6A4
SCHEMBL6587104 0.80 HTR1E (0.44) SMYD3
SCHEMBL7839828 0.77 OPRD1 (0.38) SIGMAR1CPN1CPB2SLC6A2SLC6A4
SCHEMBL6584313 0.77 DPP4 (0.37) CPN1CPB2DPP4
SCHEMBL6588968 0.76 CTSK (0.45)
SCHEMBL6586715 0.75 CA2 (0.38) DPP4
SCHEMBL6587799 0.74 SLC6A2 (0.31) CPN1CPB2SLC6A2SLC6A4SLC6A3

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