SCHEMBL8418112

SCHEMBL8418112

CN1CCCC1CCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.54
HRH3 Q9Y5N1 10/20 0.54
HRH1 P35367 9/20 0.54
ADRA1B P35368 8/20 0.54
KCNH2 Q12809 9/20 0.51
ADRA2A P08913 3/20 0.49
CHRM2 P08172 2/20 0.49
HTR1A P08908 2/20 0.49
CYP2D6 P10635 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD1 P21728 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GUCY1B2 O75343 1/20 0.49
CYP1A2 P05177 1/20 0.49
GUCY1A2 P33402 1/20 0.49

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
SCHEMBL9917513 0.84 HRH3 (0.51) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL16418028 0.83 HRH3 (0.50) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL8810717 0.82 CNR2 (0.56) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917454 0.82 HRH3 (0.49) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917446 0.82 HRH3 (0.49) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917448 0.82 HRH3 (0.62) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917502 0.82 HRH3 (0.62) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917447 0.82 HRH3 (0.52) ADRA1AHRH3HRH1ADRA1BKCNH2
SCHEMBL9917532 0.81 HRH3 (0.53) ADRA1AHRH3KCNH2ADRA2ACHRM2
SCHEMBL9917449 0.81 HRH3 (0.54) ADRA1AHRH3HRH1ADRA1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed