SCHEMBL7162183

SCHEMBL7162183

O=C(OC(=O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1)c1ccccc1OCCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.73
HTR1A P08908 3/20 0.50
HTR7 P34969 2/20 0.50
SLC6A4 P31645 1/20 0.48

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
SCHEMBL7162174 0.94 HRH2 (0.84) HRH2
SCHEMBL6780803 0.85 HRH2 (1.00) HRH2
SCHEMBL6780810 0.79 HTR1A (0.61) HRH2HTR1AHTR7SLC6A4
SCHEMBL5345178 0.78 MEN1 (0.56) HTR1AHTR7
SCHEMBL6779987 0.77 HRH2 (0.82) HRH2
SCHEMBL6782487 0.77 HRH2 (0.60) HRH2HTR1AHTR7
SCHEMBL6782242 0.73 HRH2 (0.75) HRH2
SCHEMBL5347618 0.73 HRH2 (0.83) HRH2
SCHEMBL6781750 0.73 HRH2 (1.00) HRH2
SCHEMBL7158720 0.73 HRH2 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003501424-A 2003-01-14 JP claimed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP claimed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO claimed