SCHEMBL6222771

SCHEMBL6222771

CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)OC(=O)CCCN3CCC(c4cn(Cc5ccccn5)c5ncccc45)CC3)CC2)c2ccncc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 17/20 0.56
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49

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
SCHEMBL6222774 0.91 HRH2 (0.64) HRH2HTR2AHTR2CHTR2B
SCHEMBL4060062 0.82 HRH2 (0.69) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053924 0.81 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL4054609 0.79 HRH2 (0.67) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053895 0.78 HRH2 (0.75) HRH2HTR2AHTR2CHTR2B
SCHEMBL4055187 0.77 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL4052175 0.76 HRH2 (0.69) HRH2HTR2AHTR2CHTR2B
SCHEMBL6780025 0.75 HRH2 (0.84) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051054 0.74 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL4058973 0.74 HRH2 (0.51) HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP claimed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO claimed