SCHEMBL9760878

SCHEMBL9760878

COC(=O)C1=C(C)NC(COCCOCCN)=C(C(=O)OC(C)C)[C@@H]1c1cccc(Cl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.66
SLC6A3 Q01959 4/20 0.66
ABCB11 O95342 4/20 0.66
ADORA3 P0DMS8 4/20 0.66
SCN5A Q14524 4/20 0.66
ADRA1A P35348 3/20 0.66
KCNH2 Q12809 3/20 0.66
OPRK1 P41145 3/20 0.66
ABCB1 P08183 3/20 0.66
CACNA1C Q13936 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
ADRB3 P13945 2/20 0.66
OPRD1 P41143 2/20 0.66
KCNK2 O95069 1/20 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
SCHEMBL9760884 1.00 TBXA2R (0.66) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Fumaric Acid SCHEMBL9761329 0.95 TBXA2R (0.61) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Fumaric Acid SCHEMBL9761314 0.95 TBXA2R (0.61) TBXA2RSLC6A3ABCB11ADORA3SCN5A
SCHEMBL10569548 0.90 CACNA1C (0.69) TBXA2RSLC6A3ABCB11ADORA3SCN5A
SCHEMBL10569551 0.90 CACNA1C (0.69) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Olradipine SCHEMBL30295459 0.89 TBXA2R (0.83) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Olradipine SCHEMBL9760691 0.89 TBXA2R (0.83) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Olradipine SCHEMBL1344914 0.89 TBXA2R (0.83) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Olradipine SCHEMBL9760698 0.89 TBXA2R (0.83) TBXA2RSLC6A3ABCB11ADORA3SCN5A
Olradipine SCHEMBL1228947 0.89 TBXA2R (0.81) TBXA2RSLC6A3ABCB11ADORA3SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 US claimed
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