SCHEMBL6584546

SCHEMBL6584546

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
DPP4 P27487 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
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
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 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
SCHEMBL6585188 0.87 CPN1 (0.34) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6586743 0.86 CPN1 (0.32) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6586012 0.84 SMYD3 (0.32) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6585899 0.84 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL7839828 0.82 OPRD1 (0.38) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6584313 0.81 DPP4 (0.37) CPN1CPB2DPP4CACNA2D1CACNA1B
SCHEMBL6586715 0.80 CA2 (0.38) DPP4CACNA2D1CACNA1BCACNB1
SCHEMBL6587799 0.79 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6584321 0.78
SCHEMBL7266151 0.76 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