SCHEMBL6586293

SCHEMBL6586293

CC(C)(C)OC(=O)NC1CCN(CC2CCN(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
EPHX1 P07099 1/20 0.43
CXCR3 P49682 2/20 0.43
KCNA3 P22001 1/20 0.42
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
CTSK P43235 2/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
PARP1 P09874 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
SCHEMBL6590294 0.83 DRD2 (0.56) DRD2KCNA3NAMPT
SCHEMBL2483799 0.81 DRD2 (0.61) DRD2EPHX1KCNA3HSD11B1CYP2C9
SCHEMBL6588958 0.81 DRD2 (0.51) DRD2EPHX1CXCR3KCNA3HSD11B1
SCHEMBL6584897 0.81 DRD2 (0.51) DRD2EPHX1CXCR3KCNA3HSD11B1
SCHEMBL6586545 0.79 ALDH1A1 (0.51) DRD2EPHX1CXCR3KCNA3HSD11B1
SCHEMBL6586590 0.79 DRD2 (0.49) DRD2EPHX1CXCR3KCNA3HSD11B1
SCHEMBL1604214 0.78 DRD2 (0.55) DRD2EPHX1KCNA3CTSK
SCHEMBL8187882 0.78 DRD2 (0.55) DRD2EPHX1KCNA3CTSK
SCHEMBL6580050 0.78 DRD2 (0.54) DRD2KCNA3CYP2C9
SCHEMBL14760990 0.76 DRD2 (0.51) DRD2KCNA3HSD11B1CYP2C9CTSK

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