SCHEMBL5199823

SCHEMBL5199823

COC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(Cc2ccccc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DTYMK P23919 1/20 0.38
STS P08842 1/20 0.38

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
SCHEMBL5197385 0.88 GPR119 (0.48) KDM1AKDM4EPKMGPR119CHRM2
SCHEMBL5202400 0.88 MAPT (0.46) KDM1AKDM4EPKMGPR119CHRM2
SCHEMBL15684511 0.78 KDM4E (0.51) KDM1AKDM4EPKMGPR119STS
SCHEMBL376786 0.74 KDM1A (0.45) KDM1AKDM4EPKMGPR119CHRM2
SCHEMBL376336 0.73 ALDH1A1 (0.60) KDM1AKDM4ECHRM2CHRM4CHRM1
SCHEMBL23119230 0.72 KDM4E (0.55) KDM4EPKMGPR119ALDH1A1
SCHEMBL21383697 0.72 PKM (0.55) KDM1AKDM4EPKMGPR119
SCHEMBL1405373 0.72 KDM4E (0.57) KDM1AKDM4EPKMGPR119CHRM2
SCHEMBL1475518 0.71 STS (0.51) KDM1AKDM4EPKMGPR119STS
SCHEMBL25471671 0.71 CARM1 (0.53) KDM1AKDM4EPKMGPR119STS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-03-28 EP disclosed
WO-2005117543-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-12-15 WO disclosed