SCHEMBL9707121

SCHEMBL9707121

CCCCCCCCCCCCc1ccc2c3ccc(CCCCCCCCCCCC)cc3n(CCN)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
TLR8 Q9NR97 6/20 0.42
SPNS2 Q8IVW8 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL9707123 1.00 HTR2A (0.53) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL9707169 1.00 HTR2A (0.53) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL9707179 1.00 HTR2A (0.53) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL1128000 0.88 RORA (0.60) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL9707135 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9707182 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9707150 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9707145 0.82 RORA (0.49) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL9707148 0.82 RORA (0.49) HTR2APSEN1PSEN2APH1BNCSTN
SCHEMBL9707208 0.82 RORA (0.49) HTR2APSEN1PSEN2APH1BNCSTN

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
EP-0218422-B1 SEMICONDUCTOR LIGHT-EMITTING ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-09-16 EP disclosed
US-4819057-A METAL-ORGANIC FILMS-SEMICONDUCTOR JUNCTION KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-04 US disclosed
EP-0218422-A2 Semiconductor light-emitting element KABUSHIKI KAISHA TOSHIBA (JP) 1987-04-15 EP disclosed