SCHEMBL9761141

SCHEMBL9761141

CCOC(=O)C1=C(COCCOCCN)NC(C)=C(C(=O)OC)[C@H]1c1cccc2c1OCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MGAM O43451 1/20 0.67
AMY1A P0DUB6 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
TBXA2R P21731 3/20 0.66
ADRA1A P35348 3/20 0.66
SLC6A3 Q01959 3/20 0.66
ADORA3 P0DMS8 3/20 0.66
HTR1A P08908 2/20 0.66
ADRA2A P08913 2/20 0.66
CHRM1 P11229 2/20 0.66
DRD1 P21728 2/20 0.66
SLC6A2 P23975 2/20 0.66
OPRM1 P35372 2/20 0.66
DRD3 P35462 2/20 0.66
KCNH2 Q12809 2/20 0.66
ABCB11 O95342 2/20 0.66
ABCB1 P08183 2/20 0.66
ADRB3 P13945 2/20 0.66

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
Oxodipine SCHEMBL332244 0.86 GAA (0.91) GAAMGAMAMY1ASIMGAM2
Olradipine SCHEMBL9760698 0.82 TBXA2R (0.83) GAATBXA2RADRA1ASLC6A3ADORA3
Olradipine SCHEMBL30295459 0.82 TBXA2R (0.83) GAATBXA2RADRA1ASLC6A3ADORA3
Olradipine SCHEMBL9760691 0.82 TBXA2R (0.83) GAATBXA2RADRA1ASLC6A3ADORA3
Olradipine SCHEMBL1344914 0.82 TBXA2R (0.83) GAATBXA2RADRA1ASLC6A3ADORA3
SCHEMBL9829661 0.82 TBXA2R (0.96) GAATBXA2RADRA1ASLC6A3ADORA3
SCHEMBL9829653 0.82 TBXA2R (0.96) GAATBXA2RADRA1ASLC6A3ADORA3
SCHEMBL13954154 0.81 TBXA2R (0.82) GAATBXA2RADRA1ASLC6A3ADORA3
Olradipine SCHEMBL29597339 0.81 TBXA2R (0.81) GAATBXA2RADRA1ASLC6A3ADORA3
Olradipine SCHEMBL1228947 0.81 TBXA2R (0.81) GAATBXA2RADRA1ASLC6A3ADORA3

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