SCHEMBL5343753

SCHEMBL5343753

COc1ccc(C(=O)O)c(CN2CCC(c3cn(Cc4ccco4)c4ccc(OC)cc34)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.58
HTR2A P28223 5/20 0.54
HTR2C P28335 5/20 0.54
HTR2B P41595 5/20 0.54
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5345903 0.94 HRH2 (0.60) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL7094542 0.87 HRH2 (0.60) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5355277 0.87 HTR2A (0.65) HRH2HTR2AHTR2CHTR2BPKM
SCHEMBL5343881 0.87 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B
SCHEMBL5345507 0.85 HRH2 (0.64) HRH2HTR2AHTR2CHTR2B
SCHEMBL5358714 0.85 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL5357911 0.81 TSHR (0.54) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL6796366 0.81 HTR2A (0.52) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5341713 0.81 HRH2 (0.73) HRH2HTR2AHTR2CHTR2B
SCHEMBL6796373 0.80 POLB (0.49) HRH2HTR2AHTR2CHTR2BPOLB

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