SCHEMBL5750985

SCHEMBL5750985

CCOCCn1cc(C2CCN(C(=O)O)CC2)c2ccncc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 18/20 0.53
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
HTR2B P41595 4/20 0.51

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
SCHEMBL4055816 0.91 HRH2 (0.50) HRH2HTR2AHTR2CHTR2B
SCHEMBL5748984 0.85 HRH2 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL5748447 0.82 HRH2 (0.43) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053924 0.81 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL4057910 0.80 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL6157923 0.80 HRH2 (0.47) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051922 0.80 HRH2 (0.46) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053204 0.79 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL4050360 0.78 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL4055478 0.78 HRH2 (0.66) 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
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed