SCHEMBL5459829

SCHEMBL5459829

CCOC(=O)C1=C(COCCN)N(OC(=O)/C=C\C(=O)ON2C(C)=C(C(=O)OC)C(c3ccccc3Cl)C(C(=O)OCC)=C2COCCN)C(C)=C(C(=O)OC)C1c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.60
ADRA1A P35348 3/20 0.60
SLC6A3 Q01959 3/20 0.60
ABCB11 O95342 3/20 0.60
HTR1A P08908 2/20 0.60
ADRA2A P08913 2/20 0.60
CHRM1 P11229 2/20 0.60
DRD1 P21728 2/20 0.60
SLC6A2 P23975 2/20 0.60
OPRM1 P35372 2/20 0.60
DRD3 P35462 2/20 0.60
KCNH2 Q12809 2/20 0.60
ABCB1 P08183 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADRB3 P13945 2/20 0.60
OPRK1 P41145 2/20 0.60
SCN5A Q14524 2/20 0.60
CACNA1C Q13936 2/20 0.60
KCNK2 O95069 1/20 0.60
ADRB2 P07550 1/20 0.60

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
SCHEMBL9761425 0.98 TBXA2R (0.59) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL7308054 0.92 TBXA2R (0.51) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9759993 0.92 CYP2C9 (0.52) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760727 0.88 ADRA1A (0.47) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760672 0.87 CYP2C9 (0.50) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760259 0.87 HTR1A (0.46) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760234 0.86 TBXA2R (0.47) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760040 0.86 HTR1A (0.46) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL19687545 0.86 TBXA2R (0.66) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760769 0.85 TBXA2R (0.43) TBXA2RADRA1ASLC6A3ABCB11HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004783-A1 Crystalline forms of amlodipine maleate DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20040072879-A1 Crystalline 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine maleate salt (Amlodipine) DR. REDDY'S LABORATORIES LIMITED 2004-04-15 US disclosed
US-20040072879-A1 Crystalline 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine maleate salt (Amlodipine) DR. REDDY'S LABORATORIES LIMITED 2004-04-15 US disclosed
US-4670449-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1987-06-02 US disclosed
US-4661485-A 2-pyrimidylaminoalkoxymethyl-6-methyl-3,5-bis (alkoxycarbony-1)-1,4-dihydropyridine antihypertensive agents PFIZER INC. (US) 1987-04-28 US disclosed
US-4572909-A 2-(Secondary aminoalkoxymethyl) dihydropyridine derivatives as anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1986-02-25 US disclosed
US-4572908-A HYPOTENSIVE AND ANTIISCHEMIC AGENTS PFIZER INC. (US) 1986-02-25 US disclosed
EP-0116769-A1 Dihydropyridines Pfizer Limited (GB) 1984-08-29 EP disclosed
EP-0089167-A2 Dihydropyridine anti-ischaemic and antihypertensive agents, processes for their production, and pharmaceutical compositions containing them Pfizer Limited (GB) 1983-09-21 EP disclosed