Roxatidine Acetate

Roxatidine Acetate

SCHEMBL1650455

CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Roxatidine Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.96
HRH3 Q9Y5N1 1/20 0.96

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
SCHEMBL11399763 0.98 HRH2 (1.00) HRH2HRH3
Roxatidine Acetate SCHEMBL29965995 0.98 HRH2 (1.00) HRH2HRH3
Roxatidine Acetate SCHEMBL1393 0.98 HRH2 (1.00) HRH2HRH3
Roxatidine Acetate SCHEMBL667643 0.97 HRH2 (0.98) HRH2HRH3
Roxatidine Acetate SCHEMBL29389759 0.97 HRH2 (0.98) HRH2HRH3
SCHEMBL11182082 0.97 HRH2 (0.98) HRH2HRH3
Roxatidine Acetate SCHEMBL9084471 0.96 HRH2 (0.96) HRH2HRH3
Roxatidine Acetate SCHEMBL482841 0.94 HRH2 (0.93) HRH2HRH3
Roxatidine Acetate SCHEMBL2322201 0.93 HRH2 (0.89) HRH2HRH3
SCHEMBL11179081 0.89 HRH2 (0.83) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576778-B1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN RODENTS UNIV KYOTO (JP) 2017-08-09 EP disclosed
US-9273364-B2 Transgenic reporter system that reveals expression profiles and regulation mechanisms of alternative splicing in mammalian organisms KYOTO UNIVERSITY (JP) 2016-03-01 US disclosed
US-20130137099-A1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN MAMMALIAN ORGANISMS KYOTO UNIVERSITY (JP) 2013-05-30 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed