SCHEMBL6985333

SCHEMBL6985333

c1ccc(C(OCCCN2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.83
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
SLC6A2 P23975 1/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
MTOR P42345 1/20 0.61
RAB9A P51151 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL6981300 0.95 SIGMAR1 (0.81) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL6978898 0.94 SIGMAR1 (0.78) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL6976586 0.94 SIGMAR1 (0.78) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL10357938 0.92 SIGMAR1 (0.76) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL6255520 0.91 SIGMAR1 (1.00) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL10551353 0.91 SIGMAR1 (0.71) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL10357706 0.87 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL9240199 0.85 SIGMAR1 (0.89) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL10357012 0.85 SIGMAR1 (0.84) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL31420201 0.84 SIGMAR1 (0.86) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6

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-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
US-4673684-A Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORPORATION (JP) 1987-06-16 US disclosed
EP-0157420-A2 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-09 EP disclosed