SCHEMBL9681754

SCHEMBL9681754

CCOC(=O)C1=C(C)NC(CCN(C)C)=C(C(=O)OCC)C1c1ccccc1C=CC(=O)OC(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.78
DRD3 P35462 3/20 0.78
KCNH2 Q12809 3/20 0.78
ADORA3 P0DMS8 2/20 0.78
OPRK1 P41145 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
LMNA P02545 1/20 0.78
HTT P42858 1/20 0.78
NR1I2 O75469 1/20 0.78
PGR P06401 1/20 0.78
TBXAS1 P24557 1/20 0.78
PDE4D Q08499 1/20 0.78
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
TBXA2R P21731 2/20 0.40
ADRA1A P35348 2/20 0.40

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
Teludipine SCHEMBL9681046 0.91 SLC6A2 (0.80) SLC6A2DRD3KCNH2ADORA3OPRK1
Teludipine SCHEMBL1815862 0.91 SLC6A2 (0.80) SLC6A2DRD3KCNH2ADORA3OPRK1
Teludipine SCHEMBL9680668 0.90 SLC6A2 (0.79) SLC6A2DRD3KCNH2ADORA3OPRK1
Teludipine SCHEMBL122110 0.90 SLC6A2 (0.79) SLC6A2DRD3KCNH2ADORA3OPRK1
SCHEMBL9680051 0.88 SLC6A2 (0.85) SLC6A2DRD3KCNH2ADORA3OPRK1
SCHEMBL9680055 0.88 SLC6A2 (0.85) SLC6A2DRD3KCNH2ADORA3OPRK1
SCHEMBL9682241 0.88 ADORA3 (0.75) SLC6A2DRD3KCNH2ADORA3OPRK1
Lacidipine SCHEMBL49277 0.88 CYP2C9 (1.00) SLC6A2DRD3KCNH2ADORA3OPRK1
Lacidipine SCHEMBL29352892 0.88 CYP2C9 (1.00) SLC6A2DRD3KCNH2ADORA3OPRK1
Lacidipine SCHEMBL49278 0.88 CYP2C9 (1.00) SLC6A2DRD3KCNH2ADORA3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162345-A Dihydropyridinedicarboxylate Derivatives GLAXO, S.P.A. (IT) 1992-11-10 US disclosed