SCHEMBL9620752

SCHEMBL9620752

CCCOc1cc2c(cc1OCCC)CCC[C]=C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTR2C P28335 5/20 0.32
HTR2B P41595 5/20 0.32
PDE4D Q08499 1/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9620922 0.94 PDE4B (0.41) PDE4BMAPTHSD17B10HTR2CHTR2B
SCHEMBL9620956 0.94 HTR2A (0.32) PDE4BHTR2CHTR2BPDE4DHTR2A
SCHEMBL9621060 0.90 MAPT (0.35) PDE4BMAPTHSD17B10HTR2CHTR2B
SCHEMBL9621237 0.89 ACHE (0.39) MAPTHTR2CHTR2BPDE4DHTR2A
SCHEMBL9621094 0.89 HTR2A (0.39) PDE4BHTR2CHTR2BPDE4DHTR2A
SCHEMBL9620992 0.84 HTR2A (0.33) PDE4BMAPTHSD17B10HTR2CHTR2B
SCHEMBL9620947 0.84 PDE4D (0.42) MAPTHTR2CHTR2BPDE4DHTR2A
SCHEMBL9620937 0.80 KDM4E (0.45) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9621116 0.79 TSHR (0.41) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL9620907 0.79 ACHE (0.41) MAPTHSD17B10HTR2CHTR2BPDE4D

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