SCHEMBL9621241

SCHEMBL9621241

CCCOc1cc2c(cc1OCCC)C(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 13/20 0.42
MAOA P21397 12/20 0.42
PRKCI P41743 1/20 0.40

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
SCHEMBL17043171 0.90 BRD4 (0.41) HSD17B1MAPK1MAOB
SCHEMBL9620680 0.87 ACHE (0.51) HSD17B1MEN1MAPK1KMT2ANPSR1
SCHEMBL11811840 0.82 BRD4 (0.46) MAOB
SCHEMBL8712272 0.81 HSD17B1 (0.46) HSD17B1MEN1MAPK1KMT2ANPSR1
SCHEMBL1545212 0.81 HSD17B1 (0.46) HSD17B1MEN1MAPK1KMT2ANPSR1
SCHEMBL19558961 0.78 MAOB (0.63) MAOBMAOA
SCHEMBL6825904 0.78 MAOB (0.67) MAOBMAOA
SCHEMBL424613 0.78 HSD17B1 (0.54) HSD17B1MEN1MAPK1KMT2ANPSR1
SCHEMBL3082824 0.76 ACHE (0.54) HSD17B1KMT2AMAOB
SCHEMBL3965311 0.75 MAOB (0.38) MEN1KMT2AMAOB

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 3 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-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