SCHEMBL6462704

SCHEMBL6462704

C=CCN(CCCO)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
C5AR1 P21730 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
CHKA P35790 1/20 0.33
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
RAB9A P51151 1/20 0.32
TGM2 P21980 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL27746105 0.90 CNR1 (0.42) CNR2CNR1CYP2C19HPGDHTT
SCHEMBL146243 0.84 CYP2C19 (0.44) CNR2CYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL544100 0.82 ALDH1A1 (0.48) CNR2CNR1CYP2C19C5AR1SMN1; SMN2
SCHEMBL15714440 0.79 CNR2 (0.43) CNR2CNR1CYP2C19HTTALDH1A1
SCHEMBL4603384 0.78 CYP2C19 (0.42) CNR2CYP2C19HTTALDH1A1KDM4E
SCHEMBL3948375 0.78 CNR1 (0.41) CNR2CNR1CYP2C19HPGDHTT
SCHEMBL13700755 0.77 CNR2 (0.55) CNR2CNR1CYP2C19HTTC5AR1
SCHEMBL147288 0.77 CYP2C19 (0.41) CNR2CYP2C19HTTALDH1A1KDM4E
SCHEMBL6843923 0.75 CNR2 (0.37) CNR2CNR1SMN1; SMN2ALDH1A1CHKA
SCHEMBL7047586 0.75 CNR1 (0.41) CNR2CNR1CYP2C19C5AR1SMN1; SMN2

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-0889933-B1 METHODS OF CURING UNSATURATED POLYMERS USING TERTIARY AROMATIC AMINE CURE PROMOTERS ALBEMARLE CORP (US) 2005-05-25 EP disclosed
US-6258894-B1 Methods of curing unsaturated polymers using tertiary aromatic amine cure promoters FIRST CHEMICAL CORPORATION 2001-07-10 US disclosed
US-6114470-A CROSSLINKABLE COMPOSITION, CONSISTING ESSENTIALLY OF A CROSSLINKABLE UNSATURATED POLYMER RESIN, A PEROXIDE INITIATOR, AND A CURE PROMOTER TERTIARY AROMATIC AMINE FIRST CHEMICAL CORPORATION (US) 2000-09-05 US disclosed
EP-0889933-A1 METHODS OF CURING UNSATURATED POLYMERS USING TERTIARY AROMATIC AMINE CURE PROMOTERS First Chemical Corporation (US) 1999-01-13 EP disclosed
WO-1997035916-A1 METHODS OF CURING UNSATURATED POLYMERS USING TERTIARY AROMATIC AMINE CURE PROMOTERS FIRST CHEMICAL CORPORATION (US) 1997-10-02 WO disclosed