SCHEMBL21604573

SCHEMBL21604573

COc1cc(CC2CCCNC2)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.54
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 1/20 0.40
EHMT2 Q96KQ7 2/20 0.38
HTR2A P28223 2/20 0.36
ACP1 P24666 3/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 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
SCHEMBL21604575 1.00 EED (0.54) EEDHRH4HRH3KCNH2EHMT2
SCHEMBL21603160 0.92 EED (0.44) EEDHRH4HRH3EHMT2
SCHEMBL21603154 0.92 EED (0.44) EEDHRH4HRH3EHMT2
SCHEMBL20281657 0.92 EED (0.44) EEDHRH4HRH3EHMT2
SCHEMBL20281478 0.87 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21359121 0.87 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21604667 0.85 EED (0.44) EEDHRH4HRH3KCNH2HTR2A
SCHEMBL21604662 0.85 EED (0.44) EEDHRH4HRH3KCNH2HTR2A
SCHEMBL21358843 0.79 EED (0.61) EEDHRH4HRH3KCNH2ACP1
SCHEMBL21358844 0.79 EED (0.61) EEDHRH4HRH3KCNH2ACP1

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