SCHEMBL16385871

SCHEMBL16385871

Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2cncc(CN3CCC(=C4c5ccc(Cl)cc5CCc5cccnc54)CC3)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 19/20 0.87
▸ PTAFR P25105 1/20 0.87
▸ KCNH2 Q12809 2/20 0.68
▸ FNTA P49354 1/20 0.65
▸ FNTB P49356 1/20 0.65

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
Rupatadine SCHEMBL30730975 0.93 HRH1 (1.00) HRH1PTAFRKCNH2FNTAFNTB
Rupatadine SCHEMBL29400290 0.93 HRH1 (1.00) HRH1PTAFRKCNH2FNTAFNTB
Rupatadine SCHEMBL27703 0.93 HRH1 (1.00) HRH1PTAFRKCNH2FNTAFNTB
SCHEMBL9138981 0.93 HRH1 (0.80) HRH1PTAFRKCNH2FNTAFNTB
SCHEMBL9142787 0.93 HRH1 (1.00) HRH1PTAFRKCNH2FNTAFNTB
Rupatadine SCHEMBL28585002 0.93 HRH1 (0.98) HRH1PTAFRKCNH2FNTAFNTB
Rupatadine SCHEMBL1649670 0.93 HRH1 (0.98) HRH1PTAFRKCNH2FNTAFNTB
SCHEMBL9136454 0.92 HRH1 (1.00) HRH1PTAFRKCNH2FNTAFNTB
SCHEMBL9140352 0.89 HRH1 (0.85) HRH1PTAFRKCNH2
Rupatadine SCHEMBL28086201 0.89 HRH1 (0.90) HRH1PTAFRKCNH2FNTAFNTB

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-2824103-B1 An improved process for the preparation of Rupatadine Fumarate CADILA PHARMACEUTICALS LTD (IN) 2016-04-27 — — EP disclosed
EP-2824103-A1 An improved process for the preparation of Rupatadine Fumarate Cadila Pharmaceuticals Limited (IN) 2015-01-14 — — EP disclosed
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