SCHEMBL9004097

SCHEMBL9004097

CCCCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
HRH3 Q9Y5N1 13/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 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
SCHEMBL9004060 0.93 HRH3 (0.44) HRH3CHRM1HTR2AMCHR1
SCHEMBL9004134 0.92 CHRM1 (0.41) LTA4HHRH3CHRM1HTR2AMCHR1
SCHEMBL9004176 0.84 CHRM1 (0.39) LTA4HHRH3CHRM1HTR2AMCHR1
SCHEMBL9004099 0.83 HRH3 (0.43) HRH3CHRM1HTR2AMCHR1
SCHEMBL9412241 0.83 HRH3 (0.43) HRH3CHRM1HTR2AMCHR1
SCHEMBL9004074 0.82 HRH3 (0.41) HRH3
SCHEMBL9004110 0.79 HSP90AA1 (0.50) LTA4HHRH3KDM4E
SCHEMBL9004116 0.73 TRPA1 (0.56) KDM4E
SCHEMBL9004170 0.73 KEAP1 (0.43) HRH3KDM4EGAA
SCHEMBL9004061 0.73 HRH3 (0.43) HRH3

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-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US claimed
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed