SCHEMBL6794831

SCHEMBL6794831

COc1ccc(CN2CCC(c3cn(Cc4ccccn4)c4ccccc34)CC2)cc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.72
HTR2A P28223 7/20 0.72
HTR2C P28335 7/20 0.72
HTR2B P41595 7/20 0.72

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
SCHEMBL5348386 0.89 HRH2 (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL5345961 0.88 HRH2 (0.68) HRH2HTR2AHTR2CHTR2B
SCHEMBL5350397 0.86 HTR2A (0.74) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051105 0.85 HRH2 (0.86) HRH2HTR2AHTR2CHTR2B
SCHEMBL5347380 0.85 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B
SCHEMBL4056106 0.84 HRH2 (0.82) HRH2HTR2AHTR2CHTR2B
SCHEMBL5344198 0.84 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5358193 0.84 HTR2A (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL5349987 0.84 HTR2A (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5343555 0.83 HRH2 (0.70) 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 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