SCHEMBL9620997

SCHEMBL9620997

COc1cc2c(cc1OCc1ccccc1)C=[C]CCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
PDE4B Q07343 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
REV1 Q9UBZ9 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL9620817 0.86 CHRNA7 (0.44) CHRNA7HTR1AHTR2AHTR2C
SCHEMBL9620937 0.83 KDM4E (0.45) CHRNA7
SCHEMBL9620947 0.82 PDE4D (0.42) HTR1AHTR2AHTR2CHTR7HTR2B
SCHEMBL9620922 0.81 PDE4B (0.41) PDE4BHTR1AHTR2AHTR2CHTR7
SCHEMBL9621094 0.79 HTR2A (0.39) PDE4BHTR1AHTR2AHTR2CHTR7
SCHEMBL9621149 0.78 KDM4E (0.44) CHRNA7
SCHEMBL9781925 0.77 MAOB (0.53) NPC1RAB9A
SCHEMBL9621237 0.76 ACHE (0.39) NPC1RAB9AHTR2AHTR2CHTR2B
SCHEMBL9621327 0.75 CHRNA7 (0.49) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL9621006 0.75 CHRNA7 (0.49) CHRNA7NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
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
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed