SCHEMBL903949

SCHEMBL903949

CC(C)NCc1cc(F)c(F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ADRB2 P07550 4/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 2/20 0.35
BACE1 P56817 1/20 0.35
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HRH1 P35367 1/20 0.31

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
SCHEMBL31136303 0.74 CCR5 (0.48) LMNACCR5ALDH1A1RAB9AKDM4E
SCHEMBL901909 0.73 MEN1 (0.41) ADRB2ALDH1A1DPP4KDM4EHSD17B10
SCHEMBL3366165 0.72 DPP4 (0.34) DPP4ALOX15ALOX12
SCHEMBL27908180 0.72 TAAR1 (0.39) DPP4ALOX15ALOX12
SCHEMBL24187354 0.71 DPP4 (0.48) DPP4ALOX15ALOX12
SCHEMBL29523009 0.70 GAA (0.33) DPP4
SCHEMBL22787662 0.70 GAA (0.33) DPP4
SCHEMBL1002024 0.70 SLC2A1 (0.38) ADRB2CCR5ALDH1A1RAB9APARP1
SCHEMBL1003082 0.70 CYP1A2 (0.41) ADRB2CCR5ALDH1A1PARP1KDM4E
SCHEMBL15091311 0.70 DPP4 (0.33) ADRB2DPP4

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-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed