SCHEMBL27966901

SCHEMBL27966901

CCCCN(NC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 2/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ESR1 P03372 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 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
SCHEMBL9004382 0.88 TP53 (0.40) KCNH2OPRM1CHRM2HTR1AADRA2A
SCHEMBL28347957 0.82 TDP1 (0.41) TDP1KCNH2OPRM1CHRM2HTR1A
SCHEMBL29137132 0.82 GAA (0.46) TDP1ESR1NPSR1GAAMAPT
SCHEMBL27758178 0.79 GAA (0.43) TDP1DRD3ESR1NPSR1GAA
SCHEMBL8978987 0.79 ALDH1A1 (0.43) TDP1KCNH2OPRM1CHRM2HTR1A
SCHEMBL3367094 0.78 NPC1 (0.49) KCNH2OPRM1DRD3NPSR1GAA
SCHEMBL9346505 0.78 ICMT (0.47) KCNH2NPSR1CRHBPHTTCRHR2
SCHEMBL29137146 0.77 NPC1 (0.47) TDP1KCNH2OPRM1DRD3ESR1
SCHEMBL29137138 0.76 NPC1 (0.50) KCNH2OPRM1DRD3NPSR1GAA
SCHEMBL29137125 0.76 NPC1 (0.50) KCNH2OPRM1DRD3NPSR1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103878021-B Alkyl benzene amine is as the purposes of anthraquinone regenerated catalyst in process for prepairng hydrogen peroxide by anthraquinone process CHEMICAL INDUSTRY INST., GUANGXI ZHUANG AUTONOMOUS REGION (CN) 2016-05-18 CN claimed
CN-103878021-A Application of alkyl phenylamine as anthraquinone regeneration catalyst in process of producing hydrogen peroxide by adopting anthraquinone method GUANGXI RES INST CHEMICAL IND 2014-06-25 CN claimed
CN-103878021-B Alkyl benzene amine is as the purposes of anthraquinone regenerated catalyst in process for prepairng hydrogen peroxide by anthraquinone process CHEMICAL INDUSTRY INST., GUANGXI ZHUANG AUTONOMOUS REGION (CN) 2016-05-18 CN disclosed
CN-103878021-A Application of alkyl phenylamine as anthraquinone regeneration catalyst in process of producing hydrogen peroxide by adopting anthraquinone method GUANGXI RES INST CHEMICAL IND 2014-06-25 CN disclosed