SCHEMBL5348249

SCHEMBL5348249

CCOC(=O)N1CCC(c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 13/20 0.55
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
HTR2B P41595 4/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NTSR1 P30989 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 1/20 0.46

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
SCHEMBL5345744 0.96 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BMEN1
SCHEMBL5347588 0.81 MEN1 (0.58) HRH2HTR2AHTR2CHTR2BMEN1
SCHEMBL4055298 0.81 HRH2 (0.66) HRH2HTR2AHTR2CHTR2B
SCHEMBL4063089 0.81 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL5344782 0.81 HRH2 (0.69) HRH2HTR2AHTR2CHTR2B
SCHEMBL5345672 0.78 HRH2 (0.70) HRH2HTR2AHTR2CHTR2B
SCHEMBL14559252 0.78 KDM4E (0.51) HRH2HTR2AHTR2CHTR2BMEN1
SCHEMBL5346890 0.78 HRH2 (0.59) HRH2HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5347770 0.77 MEN1 (0.53) HRH2HTR2AHTR2CHTR2BMEN1
SCHEMBL5347830 0.77 CNR2 (0.53) HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed