SCHEMBL11031723

SCHEMBL11031723

C=Cc1ccccc1C(C)NCCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
SIGMAR1 Q99720 3/20 0.35
ADRA2C P18825 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
OPRM1 P35372 3/20 0.35
DRD3 P35462 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ABCB11 O95342 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH1 P35367 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR1A P08908 2/20 0.35
HRH2 P25021 2/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL9779275 0.98 NAAA (0.38) NAAASIGMAR1ADRA2CSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL11031806 0.98 NAAA (0.35) NAAASIGMAR1ADRA2CSLC6A2SLC6A4
SCHEMBL11032815 0.98 NAAA (0.38) NAAASIGMAR1ADRA2CSLC6A2SLC6A4
SCHEMBL11034500 0.98 NAAA (0.38) NAAASIGMAR1ADRA2CSLC6A2SLC6A4
SCHEMBL11034236 0.98 NAAA (0.38) NAAASIGMAR1ADRA2CSLC6A2SLC6A4
SCHEMBL11045805 0.95 POLB (0.38) SIGMAR1ADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL8368617 0.89 SIGMAR1 (0.41) SIGMAR1ADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL10629895 0.82 SIGMAR1 (0.38) SIGMAR1SLC6A2SLC6A4OPRM1DRD3
SCHEMBL22839077 0.81 CYP3A4 (0.34) SLC6A2SLC6A4OPRM1DRD3LMNA
SCHEMBL10628521 0.79 NAAA (0.35) NAAASIGMAR1ADRA2CSLC6A2SLC6A4

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-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP claimed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US claimed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP claimed
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP disclosed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US disclosed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed