SCHEMBL6796366

SCHEMBL6796366

COc1ccc(C(=O)O)c(CN2CCC(c3cn(OCCc4ccco4)c4ccccc34)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.52
HTR2C P28335 6/20 0.52
HTR2B P41595 6/20 0.52
HRH2 P25021 9/20 0.51
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.43

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
SCHEMBL6796371 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BHRH2FOLH1
SCHEMBL5343753 0.81 HRH2 (0.58) HTR2AHTR2CHTR2BHRH2POLB
SCHEMBL6796373 0.79 POLB (0.49) HTR2AHTR2CHTR2BHRH2POLB
SCHEMBL5345903 0.78 HRH2 (0.60) HTR2AHTR2CHTR2BHRH2POLB
SCHEMBL5341713 0.74 HRH2 (0.73) HTR2AHTR2CHTR2BHRH2
SCHEMBL5358193 0.71 HTR2A (0.77) HTR2AHTR2CHTR2BHRH2
SCHEMBL5358714 0.71 HRH2 (0.80) HTR2AHTR2CHTR2BHRH2
SCHEMBL5345507 0.70 HRH2 (0.64) HTR2AHTR2CHTR2BHRH2
SCHEMBL4058074 0.70 HRH2 (0.65) HTR2AHTR2CHTR2BHRH2
SCHEMBL7094542 0.70 HRH2 (0.60) HTR2AHTR2CHTR2BHRH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed