SCHEMBL9761008

SCHEMBL9761008

COC(=O)C1=C(C)N(OC(=O)/C=C/C(=O)ON2C(C)=C(C(=O)OC)[C@H](c3cccc(Cl)c3Cl)C(C(=O)OCCCC(C3CC3)C3CC3)=C2COCCOCCN)C(COCCOCCN)=C(C(=O)OCCCC(C2CC2)C2CC2)[C@H]1c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.39
ADRA1A P35348 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ABCB11 O95342 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
ABCB1 P08183 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADRB3 P13945 2/20 0.39
OPRK1 P41145 2/20 0.39
SCN5A Q14524 2/20 0.39
KCNK2 O95069 1/20 0.39
ADRB2 P07550 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL9760067 0.91 TBXA2R (0.36) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760762 0.88 CACNA1C (0.43) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9759993 0.88 CYP2C9 (0.52) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760727 0.87 ADRA1A (0.47) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9761327 0.86 PYGL (0.41) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760672 0.85 CYP2C9 (0.50) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760183 0.84 TBXA2R (0.42) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9761425 0.82 TBXA2R (0.59) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9760259 0.81 HTR1A (0.46) TBXA2RADRA1ASLC6A3ABCB11HTR1A
SCHEMBL9761196 0.80 TBXA2R (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026863-A Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4983740-A Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide ADIR ET COMPAGNIE (FR) 1991-01-08 US disclosed
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 US disclosed