SCHEMBL3387647

SCHEMBL3387647

CNCCN(CCNC)N(CCNC)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 3/20 0.45
TAAR1 Q96RJ0 2/20 0.45
ALOX15 P16050 1/20 0.45
CHRM2 P08172 3/20 0.42
ADRA2A P08913 3/20 0.42
DRD1 P21728 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA1A P35348 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA2C P18825 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL14720136 0.81 CYP2C19 (0.62) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL726956 0.79 CYP2C19 (0.51) HRH3ALDH1A1LMNACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL27281780 0.78 LMNA (0.50) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL17059857 0.75 HRH3 (0.45) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL16491445 0.71 HRH3 (0.44) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL21356866 0.68 TDP1 (0.70) HRH3ALDH1A1LMNACYP2C19TAAR1
SCHEMBL19211538 0.67 HRH3 (0.59) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL22761632 0.67 HRH3 (0.69) HRH3ALDH1A1LMNACYP2C19CYP2D6
Dimethylamine SCHEMBL28560259 0.66 CYP2C19 (0.52) HRH3ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL57491 0.65 CYP2D6 (0.80) ALDH1A1LMNACYP2C19CYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325777-B1 ABSORBENTS AND PROCESS FOR PRODUCING THE SAME, ABSORBABLE CONSTRUCTS AND ABSORBABLE ARTICLES SANYO CHEMICAL IND LTD (JP) 2010-12-22 EP disclosed
US-7087669-B2 Absorbents and process for producing the same, absorbable constructs and absorbable articles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-08 US disclosed
US-6951911-B2 Cross-linked polymer and process for producing the same, absorptive structure and absorptive article SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-04 US disclosed
US-20040024104-A1 Absorbents and process for producing the same, absorbable constructs and absorbable articles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 US disclosed
EP-1325777-A1 ABSORBENTS AND PROCESS FOR PRODUCING THE SAME, ABSORBABLE CONSTRUCTS AND ABSORBABLE ARTICLES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-09 EP disclosed
US-20030078349-A1 For use in paper diaper, a physiological napkin, a pad, a paper towel TAGAWA DAISUKE (JP) 2003-04-24 US disclosed
EP-1275669-A1 CROSSLINKED POLYMER, PROCESS FOR PRODUCING THE SAME, ABSORBENT STRUCTURE, AND ABSORBENT ARTICLE SANYO CHEMICAL INDUSTRIES, Ltd. (JP) 2003-01-15 EP disclosed