SCHEMBL9621076

SCHEMBL9621076

Oc1ccc2c(c1)CC[C]=C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 5/20 0.35
DRD1 P21728 4/20 0.35
DRD5 P21918 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRKCI P41743 1/20 0.35
OPRK1 P41145 1/20 0.34
PBRM1 Q86U86 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ESR1 P03372 4/20 0.31
ESR2 Q92731 4/20 0.31

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
SCHEMBL9620793 0.72 MAOA (0.49) DRD2DRD4DRD3DRD1DRD5
SCHEMBL156592 0.70 MAOB (0.38) DRD2DRD3MAOB
SCHEMBL9620965 0.70 ALDH1A1 (0.37)
SCHEMBL9621139 0.70 MAPT (0.43) ESR1
SCHEMBL9621262 0.68 NQO1 (0.41) HSD17B10ESR2
SCHEMBL7472008 0.68 DRD2 (0.41) DRD2DRD4DRD3DRD1DRD5
SCHEMBL9621104 0.67 SLC2A1 (0.40) MAOAMAOBHSD17B10
SCHEMBL22042262 0.67 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL386721 0.67 PBRM1 (0.35) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7472016 0.67 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5

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
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
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed