SCHEMBL5358193

SCHEMBL5358193

COc1ccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)cc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.77
HTR2C P28335 6/20 0.77
HTR2B P41595 6/20 0.77
HRH2 P25021 11/20 0.75
PKM P14618 1/20 0.54

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
SCHEMBL5355277 0.91 HTR2A (0.65) HTR2AHTR2CHTR2BHRH2PKM
SCHEMBL5344193 0.91 HRH2 (0.77) HTR2AHTR2CHTR2BHRH2PKM
SCHEMBL4055550 0.90 HTR2A (0.63) HTR2AHTR2CHTR2BHRH2PKM
SCHEMBL4057396 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BHRH2PKM
SCHEMBL5349987 0.87 HTR2A (1.00) HTR2AHTR2CHTR2BHRH2
SCHEMBL5344198 0.85 HRH2 (1.00) HTR2AHTR2CHTR2BHRH2
SCHEMBL5348386 0.85 HRH2 (0.77) HTR2AHTR2CHTR2BHRH2
SCHEMBL4051105 0.85 HRH2 (0.86) HTR2AHTR2CHTR2BHRH2
SCHEMBL5345253 0.85 HRH2 (0.77) HTR2AHTR2CHTR2BHRH2
SCHEMBL5347380 0.85 HRH2 (0.78) HTR2AHTR2CHTR2BHRH2

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