SCHEMBL21604650

SCHEMBL21604650

Cc1cc(CC2CCCNC2)cc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.44
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.40
CHEK1 O14757 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
HTR2A P28223 2/20 0.34
NPC1 O15118 1/20 0.34
MAP3K12 Q12852 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL21604661 1.00 EED (0.44) EEDHRH4HRH3KCNH2CHEK1
SCHEMBL21603171 0.92 HRH4 (0.40) EEDHRH4HRH3CHEK1HSP90AA1
SCHEMBL20281715 0.92 HRH4 (0.40) EEDHRH4HRH3CHEK1HSP90AA1
SCHEMBL21359121 0.86 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL20281478 0.86 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21604662 0.81 EED (0.44) EEDHRH4HRH3KCNH2CHEK1
SCHEMBL21604667 0.81 EED (0.44) EEDHRH4HRH3KCNH2CHEK1
SCHEMBL21605727 0.79 BRD4 (0.43) KCNH2CHEK1BRD4ATAD2
SCHEMBL21604575 0.78 EED (0.54) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21604573 0.78 EED (0.54) EEDHRH4HRH3KCNH2BRD4

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-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed