SCHEMBL461043

SCHEMBL461043

COc1ccc(F)c(C2CNCC2N)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
KDM1A O60341 8/20 0.44
KDM1B Q8NB78 3/20 0.44
DPP4 P27487 4/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 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
SCHEMBL461045 1.00 HTR2C (0.44) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL461044 1.00 HTR2C (0.44) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL179110 0.80 KDM1A (0.66) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL12064742 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL29941500 0.74 CHRNB2 (0.47) KDM1AKDM1BDPP4CHRNB2CHRNB4
SCHEMBL470620 0.74 CHRNB2 (0.47) KDM1AKDM1BDPP4CHRNB2CHRNB4
SCHEMBL179045 0.73 KDM1A (0.63) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL8102755 0.72 HTR2C (0.60) HTR2CHTR2AHTR2BDPP4
SCHEMBL8102751 0.72 HTR2C (0.60) HTR2CHTR2AHTR2BDPP4
SCHEMBL21057790 0.71 DPP4 (0.41) HTR2CHTR2AHTR2BKDM1AKDM1B

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed