SCHEMBL470620

SCHEMBL470620

N[C@H]1CNC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
KDM1A O60341 12/20 0.46
KDM1B Q8NB78 7/20 0.46
KCNH2 Q12809 2/20 0.46
DPP4 P27487 6/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP9 Q86TI2 2/20 0.39
FAP Q12884 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
SCHEMBL29941500 1.00 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL179110 0.80 KDM1A (0.66) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL13186510 0.80 HTR2C (0.49) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL12064742 0.79 HTR2C (0.46) CHRNB2CHRNA4KDM1AKDM1BKCNH2
SCHEMBL15072097 0.77 KDM1A (0.70) KDM1AKDM1BKCNH2DPP4DPP8
SCHEMBL3446487 0.77 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL179045 0.76 KDM1A (0.63) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL12499210 0.74 HTR2A (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL16649443 0.74 HTR2A (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A
SCHEMBL461043 0.74 HTR2C (0.44) CHRNB2CHRNB4CHRNA3CHRNA4KDM1A

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed