SCHEMBL7162174

SCHEMBL7162174

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

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.84
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL7162183 0.94 HRH2 (0.73) HRH2
SCHEMBL6780803 0.92 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL6779987 0.84 HRH2 (0.82) HRH2HTR2AHTR2CHTR2B
SCHEMBL6782487 0.84 HRH2 (0.60) HRH2HTR2AHTR2CHTR2B
SCHEMBL6782242 0.80 HRH2 (0.75) HRH2HTR2AHTR2CHTR2B
SCHEMBL5347618 0.80 HRH2 (0.83) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781750 0.80 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5347426 0.79 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5347777 0.78 HRH2 (0.84) HRH2HTR2AHTR2CHTR2B
SCHEMBL5340086 0.78 HRH2 (0.77) 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 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