SCHEMBL9621156

SCHEMBL9621156

COCCCOc1ccc2c(c1)CC[C]=C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
PPARD Q03181 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL9620717 0.93 HRH3 (0.37) MAOBMAOAHRH3PPARDSMN1; SMN2
SCHEMBL9621003 0.88 MEN1 (0.38) HRH3
SCHEMBL9621104 0.87 SLC2A1 (0.40) MAOBMAOACYP1A2CYP2D6MAPK1
SCHEMBL9620965 0.82 ALDH1A1 (0.37) HRH3PPARDSMN1; SMN2S1PR1S1PR3
SCHEMBL9621262 0.82 NQO1 (0.41) PPARDKDM4EPOLB
SCHEMBL9620984 0.81 CYP2C9 (0.38) MAOBMAOA
SCHEMBL9620729 0.80 HRH3 (0.39) HRH3MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL9620793 0.80 MAOA (0.49) MAOBMAOA
SCHEMBL9621116 0.78 TSHR (0.41) MAOBMAOAHRH3CYP1A2CYP2D6
SCHEMBL10071532 0.75 HRH3 (0.53) HRH3PPARDSMN1; SMN2KDM4EPOLB

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 5 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