SCHEMBL9781925

SCHEMBL9781925

[C]1=Cc2ccc(OCc3ccccc3)cc2CCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
MAOA P21397 6/20 0.53
HRH3 Q9Y5N1 6/20 0.49
KDM1A O60341 1/20 0.47
CYP2D6 P10635 2/20 0.46
ALOX5 P09917 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44

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
SCHEMBL9620868 0.92 HRH3 (0.51) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL9620848 0.80 NQO1 (0.38) CYP2D6NPC1RAB9ACA5APOLB
SCHEMBL9621116 0.79 TSHR (0.41) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL9620729 0.78 HRH3 (0.39) HRH3NPC1RAB9ACA2POLB
SCHEMBL9620997 0.77 CHRNA7 (0.52) NPC1RAB9A
SCHEMBL12472442 0.76 HRH3 (0.72) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL30299191 0.76 HRH3 (0.72) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL7795457 0.74 MAOB (0.52) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL18839037 0.73 HRH3 (0.52) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL11519620 0.72 HRH3 (0.55) MAOBMAOAHRH3KDM1ACYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed