SCHEMBL6584900

SCHEMBL6584900

CC(C)(C)OC(=O)NC1CCN(C(C(N)=O)C2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.46
PARP1 P09874 3/20 0.41
KCNA3 P22001 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD11B1 P28845 3/20 0.38
BTK Q06187 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4D Q6B0I6 5/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
EPHX1 P07099 1/20 0.36
DRD2 P14416 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL6588968 0.87 CTSK (0.45) CTSKPARP1KCNA3CA1CA2
SCHEMBL6586597 0.86 CTSK (0.44) CTSKPARP1KCNA3CA1CA2
SCHEMBL6586538 0.84 CTSK (0.43) CTSKPARP1KCNA3CA1CA2
SCHEMBL6586675 0.82 CTSK (0.41) CTSKPARP1KCNA3CA1CA2
SCHEMBL6586301 0.82 CTSK (0.41) CTSKPARP1KCNA3CA1CA2
SCHEMBL6585663 0.81 CTSK (0.40) CTSKPARP1KCNA3CA1CA2
SCHEMBL6590305 0.80 KCNA3 (0.46) CTSKPARP1KCNA3CKS1BSKP1
SCHEMBL6580060 0.78 KCNA3 (0.47) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL56856 0.77 EPHX1 (0.53) CTSKKCNA3CA1CA2HSD11B1
SCHEMBL4715249 0.77 CTSK (0.51) CTSKPARP1KCNA3CA1CA2

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