SCHEMBL15501085

SCHEMBL15501085

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)CCC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.71
ADORA3 P0DMS8 4/20 0.71
LMNA P02545 3/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2C19 P33261 3/20 0.71
HTT P42858 2/20 0.71
NR1I2 O75469 2/20 0.71
PGR P06401 2/20 0.71
OPRK1 P41145 2/20 0.71
PDE4D Q08499 2/20 0.71
SLC6A2 P23975 1/20 0.71
TBXAS1 P24557 1/20 0.71
DRD3 P35462 1/20 0.71
KCNH2 Q12809 1/20 0.71
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
KDM4E B2RXH2 8/20 0.46

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
SCHEMBL19882221 0.89 ADORA3 (0.74) CYP2C9ADORA3LMNACYP3A4CYP2C19
SCHEMBL9680023 0.83 ADORA3 (0.74) CYP2C9ADORA3LMNACYP3A4CYP2C19
SCHEMBL9872301 0.83 CYP2C9 (0.81) CYP2C9ADORA3LMNACYP3A4CYP2C19
SCHEMBL9680033 0.83 ADORA3 (0.74) CYP2C9ADORA3LMNACYP3A4CYP2C19
Lacidipine SCHEMBL29352892 0.83 CYP2C9 (1.00) CYP2C9ADORA3LMNACYP3A4CYP2C19
Lacidipine SCHEMBL49278 0.83 CYP2C9 (1.00) CYP2C9ADORA3LMNACYP3A4CYP2C19
Lacidipine SCHEMBL49277 0.83 CYP2C9 (1.00) CYP2C9ADORA3LMNACYP3A4CYP2C19
Lacidipine SCHEMBL28158205 0.81 CYP2C9 (0.96) CYP2C9ADORA3LMNACYP3A4CYP2C19
SCHEMBL28505406 0.80 ADORA3 (0.70) CYP2C9ADORA3LMNACYP3A4CYP2C19
SCHEMBL29261988 0.80 ADORA3 (0.92) CYP2C9ADORA3LMNACYP3A4CYP2C19

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
EP-2705839-A1 Pharmaceutical composition comprising lacidipine and process of preparation Rivopharm SA (CH) 2014-03-12 EP disclosed