SCHEMBL7154452

SCHEMBL7154452

CCOCCn1cc(C2CCN(Cc3cccc(C(=O)OC(=O)c4ccccc4CN4CCC(c5cn(CCOCC)c6ccccc56)CC4)c3)CC2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 17/20 0.76
HTR2A P28223 3/20 0.76
HTR2C P28335 3/20 0.76
HTR2B P41595 3/20 0.76

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
SCHEMBL7154446 0.91 HRH2 (0.89) HRH2HTR2AHTR2CHTR2B
SCHEMBL6777082 0.86 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL6775816 0.84 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL4236561 0.78 HRH2 (0.85) HRH2HTR2AHTR2CHTR2B
SCHEMBL4057729 0.77 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053212 0.76 HRH2 (0.64) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781653 0.75 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051724 0.74 HRH2 (0.76) HRH2HTR2AHTR2CHTR2B
SCHEMBL6776134 0.74 HRH2 (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL6786336 0.74 HRH2 (0.79) HRH2HTR2AHTR2CHTR2B

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
JP-2003501424-A 2003-01-14 JP claimed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP claimed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO claimed