SCHEMBL6590294

SCHEMBL6590294

CC(C)(C)OC(=O)NC1CCN(CC2CCN(C(=O)Oc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
KCNA3 P22001 1/20 0.52
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NAMPT P43490 1/20 0.46
CCR5 P51681 1/20 0.45
CCR1 P32246 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL6580050 0.86 DRD2 (0.54) DRD2KCNA3KMT2AL3MBTL1NPC1
SCHEMBL1412165 0.84 HSD11B1 (0.58) GAANAMPT
SCHEMBL1412162 0.84 HSD11B1 (0.58) GAANAMPT
SCHEMBL6586293 0.83 DRD2 (0.48) DRD2KCNA3NAMPT
SCHEMBL30750698 0.82 L3MBTL1 (0.52) DRD2GAAKDM4EPKMKMT2A
SCHEMBL5108931 0.81 ALDH1A1 (0.57) GAAKDM4EPKMKMT2AL3MBTL1
SCHEMBL30886061 0.81 KCNA3 (0.58) DRD2KCNA3NAMPTCCR5CKS1B
SCHEMBL1532759 0.80 GPR119 (0.52) KCNA3GAANAMPTCKS1BSKP1
SCHEMBL2483799 0.80 DRD2 (0.61) DRD2KCNA3
SCHEMBL6584897 0.79 DRD2 (0.51) DRD2KCNA3NAMPT

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