SCHEMBL6586590

SCHEMBL6586590

CN(C)C(=O)N1CCC(CN2CCC(NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
KCNA3 P22001 1/20 0.43
CTSK P43235 2/20 0.43
HSD11B1 P28845 2/20 0.42
CYP2C9 P11712 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
CXCR3 P49682 2/20 0.41
EPHX1 P07099 1/20 0.41
CCR5 P51681 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NAMPT P43490 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL880503 0.89 CTSK (0.52) KCNA3CTSKHSD11B1CYP2C9EPHX1
SCHEMBL2483799 0.86 DRD2 (0.61) DRD2KCNA3CTSKHSD11B1CYP2C9
SCHEMBL6588958 0.85 DRD2 (0.51) DRD2KCNA3CTSKHSD11B1CYP2C9
SCHEMBL6584897 0.85 DRD2 (0.51) DRD2KCNA3CTSKHSD11B1CYP2C9
SCHEMBL6586545 0.83 ALDH1A1 (0.51) DRD2KCNA3CTSKHSD11B1CYP2C9
SCHEMBL1604214 0.82 DRD2 (0.55) DRD2KCNA3CTSKEPHX1CA1
SCHEMBL8187882 0.82 DRD2 (0.55) DRD2KCNA3CTSKEPHX1CA1
SCHEMBL30527730 0.81 HSD11B1 (0.57) CTSKHSD11B1CYP2C9EPHX1CA1
SCHEMBL31250358 0.81 HSD11B1 (0.57) CTSKHSD11B1CYP2C9EPHX1CA1
SCHEMBL14760990 0.81 DRD2 (0.51) DRD2KCNA3CTSKHSD11B1CYP2C9

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