SCHEMBL7094348

SCHEMBL7094348

CC(COC1=COC(Cc2ccccc2)O1)n1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
DRD2 P14416 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL5344785 0.87 HRH2 (0.69) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL5345679 0.86 HRH2 (0.69) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL5346295 0.76 HRH2 (0.58) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL6779387 0.75 HRH2 (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL6779996 0.74 HRH2 (0.79) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781670 0.73 HRH2 (0.79) HRH2HTR2AHTR2CHTR2B
SCHEMBL4062870 0.73 HRH2 (0.63) HRH2HTR2AHTR2CHTR2B
SCHEMBL5347801 0.73 HRH2 (0.85) HRH2HTR2AHTR2CHTR2B
SCHEMBL6779707 0.73 HRH2 (0.90) HRH2HTR2AHTR2CHTR2B
SCHEMBL5349798 0.72 HRH2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP claimed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO claimed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed