SCHEMBL15949067

SCHEMBL15949067

Cc1cc(C(=O)CC(c2ccc(N(C)CCO)cc2)c2ccccc2C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
NR3C2 P08235 1/20 0.38
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
CTSA P10619 7/20 0.35
GAA P10253 3/20 0.34
MGAM O43451 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL15949065 1.00 GPBAR1 (0.53) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL15948981 0.90 GPBAR1 (0.51) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL15948980 0.90 GPBAR1 (0.51) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL1389855 0.87 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL1389846 0.87 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL1389851 0.87 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL1389853 0.87 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2KDM4AKDM4C
SCHEMBL1390447 0.85 GPBAR1 (0.62) GPBAR1NR3C2CTSAGAAMGAM
SCHEMBL1390446 0.85 GPBAR1 (0.62) GPBAR1NR3C2CTSAGAAMGAM
SCHEMBL365241 0.84 GPBAR1 (0.59) GPBAR1NR3C2CTSAGAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed