SCHEMBL3683455

SCHEMBL3683455

[O-][N+]1(CCc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
HTR2A P28223 2/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
OPRM1 P35372 1/20 0.41
CHRM3 P20309 2/20 0.40
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL917006 0.98 CYP2D6 (0.42) CYP2D6HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL5871483 0.79 TAAR1 (0.45) TAAR1LOXL2SIGMAR1
SCHEMBL11846749 0.78 HIF1A (0.41) CYP2D6LOXL2SLC6A3ALDH1A1SIGMAR1
SCHEMBL596253 0.77 HIF1A (0.39) CYP2D6ALDH1A1SIGMAR1
SCHEMBL7363979 0.76 SIGMAR1 (0.40) CYP2D6OPRM1CHRM3SLC6A3HSD17B10
SCHEMBL9935073 0.75 KCNH2 (0.49) CYP2D6CHRM3ALDH1A1HPGD
SCHEMBL1831948 0.74 HIF1A (0.41) CYP2D6LOXL2SLC6A3ALDH1A1SIGMAR1
SCHEMBL9935058 0.73 ALDH1A1 (0.51) CYP2D6CHRM3ALDH1A1HPGD
SCHEMBL10005292 0.73 CHRM3 (0.58) CYP2D6HTR2ACYP2A6SMN1; SMN2TAAR1
Water SCHEMBL16291574 0.72 ALDH1A1 (0.50) CYP2D6CHRM3ALDH1A1HPGD

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
US-20100168490-A1 METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYLAMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-07-01 US claimed
US-20100168490-A1 METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYLAMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-07-01 US disclosed
EP-2133309-A1 METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYL AMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF Consejo Superior De Investigaciones Científicas (ES) 2009-12-16 EP disclosed