SCHEMBL6588958

SCHEMBL6588958

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
CTSK P43235 2/20 0.45
KCNA3 P22001 1/20 0.45
HSD11B1 P28845 3/20 0.44
CYP2C9 P11712 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
EPHX1 P07099 1/20 0.43
CXCR3 P49682 2/20 0.43
NAMPT P43490 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
DRD3 P35462 1/20 0.40

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
SCHEMBL15373447 0.89 CTSK (0.54) CTSKKCNA3HSD11B1CYP2C9EPHX1
SCHEMBL2483799 0.88 DRD2 (0.61) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL6584897 0.88 DRD2 (0.51) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL6586545 0.85 ALDH1A1 (0.51) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL6586590 0.85 DRD2 (0.49) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL8187882 0.84 DRD2 (0.55) DRD2CTSKKCNA3EPHX1CA1
SCHEMBL1604214 0.84 DRD2 (0.55) DRD2CTSKKCNA3EPHX1CA1
SCHEMBL6586669 0.82 DRD2 (0.47) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL6585658 0.82 POLB (0.46) DRD2CTSKKCNA3HSD11B1CYP2C9
SCHEMBL6585652 0.82 POLB (0.46) DRD2CTSKKCNA3HSD11B1CYP2C9

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