SCHEMBL7787481

SCHEMBL7787481

CC(=O)NCc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.72
HTR2C P28335 4/20 0.72
HTR2B P41595 3/20 0.72
DRD2 P14416 4/20 0.63
HTR1A P08908 3/20 0.63
DRD3 P35462 2/20 0.63
DRD1 P21728 1/20 0.63
DRD5 P21918 1/20 0.63
HTR7 P34969 1/20 0.61
ALDH1A1 P00352 1/20 0.55
MDM2 Q00987 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
SIGMAR1 Q99720 1/20 0.51
MAOB P27338 1/20 0.49
MLLT1 Q03111 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
SCHEMBL5183977 0.84 MEN1 (0.60) HTR2AHTR2CHTR2BHTR7ALDH1A1
Hydrochloric Acid SCHEMBL5987883 0.82 ALDH1A1 (0.58) HTR2AHTR2CHTR2BHTR7ALDH1A1
SCHEMBL9633099 0.78 HTR1A (0.75) HTR2AHTR2BDRD2HTR1ADRD3
SCHEMBL9143897 0.77 DRD2 (0.49) HTR2AHTR2CHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL10423847 0.76 HTR1A (0.64) HTR2AHTR2CDRD2HTR1ADRD3
SCHEMBL27236994 0.76 HTR1A (1.00) HTR2AHTR2CHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL7250731 0.75 OGA (0.51) ALDH1A1MDM2CA1CA2CA7
SCHEMBL10332949 0.75 HRH3 (0.62) HTR2AHTR2CDRD2HTR1ADRD3
SCHEMBL9143760 0.75 HTR2A (1.00) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL9140144 0.75 DRD2 (0.53) HTR2AHTR2CDRD2HTR1ADRD3

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
JP-2001072660-A TNF-α PRODUCTION INHIBITOR AND/OR IL-10 PRODUCTION PROMOTER WELFIDE CORP 2001-03-21 JP disclosed