SCHEMBL5197385

SCHEMBL5197385

COC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(Cc2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.43
KDM1B Q8NB78 1/20 0.43
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 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
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
BTK Q06187 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
SCHEMBL5202400 0.88 MAPT (0.46) GPR119MAPTKDM1AKDM4EPKM
SCHEMBL5199823 0.88 KDM1A (0.43) GPR119KDM1AKDM4EPKMALDH1A1
SCHEMBL16825244 0.84 GPR119 (0.60) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL8111261 0.75 GPR119 (0.49) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL18280173 0.75 KDM4E (0.56) GPR119MAPTSMN1; SMN2DPP4KDM4E
SCHEMBL376926 0.74 GPR119 (0.48) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL8116325 0.74 GPR119 (0.51) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL20015328 0.74 GPR119 (0.59) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL14306310 0.74 KDM1A (0.48) GPR119MAPTSMN1; SMN2KDM1AKDM1B
SCHEMBL4680824 0.73 KDM4E (0.57) GPR119MAPTSMN1; SMN2KDM1AKDM1B

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