SCHEMBL11280879

SCHEMBL11280879

[O-][S+]1CCCNc2ccc(Cl)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DRD4 P21917 3/20 0.34
DRD2 P14416 1/20 0.34
HTR5A P47898 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1D P28221 2/20 0.33
HTR7 P34969 2/20 0.33
HTR3A P46098 2/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL11267164 0.81 CA12 (0.35) AHRCA12CA1CA2CA9
SCHEMBL11269163 0.81 MAPT (0.35) CA12CA1CA2CA9DRD4
SCHEMBL11260147 0.79 PNMT (0.36) CA12CA1CA2CA9DRD2
SCHEMBL11262166 0.78 GAA (0.38) HTR2AHTR2CHTR2BCA12CA1
SCHEMBL11274713 0.78 PDE3B (0.41) HTR2CCA12CA1CA2CA9
SCHEMBL11266164 0.77 ALOX15 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL11269742 0.77 PNMT (0.41) CA12CA1CA2CA9ADRA2A
SCHEMBL1091532 0.74 MAPT (0.54) AHRHTR2AHTR2CHTR2BCA12
SCHEMBL30839280 0.73 KDM4E (0.49) AHRHTR2AHTR2CHTR2BCA12
SCHEMBL10122766 0.73 KDM4E (0.49) AHRHTR2AHTR2CHTR2BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed