Lercanidipine

Lercanidipine

SCHEMBL8630225

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Lercanidipine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C known ✓ Q13936 1/20 0.60
ADORA3 P0DMS8 2/20 0.98
ADRA1A P35348 2/20 0.98
MTOR P42345 2/20 0.98
RAB9A P51151 2/20 0.98
SLC6A3 Q01959 2/20 0.98
MLNR O43193 1/20 0.98
NR1I2 O75469 1/20 0.98
CNR1 P21554 1/20 0.98
HRH1 P35367 1/20 0.98
OPRK1 P41145 1/20 0.98
PDE3A Q14432 1/20 0.98
NR3C2 P08235 1/20 0.63
CYP1A2 P05177 5/20 0.61
CYP3A4 P08684 5/20 0.61
CYP2C9 P11712 5/20 0.61
CYP2C19 P33261 5/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 4/20 0.61
CYP2D6 P10635 4/20 0.61

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
Lercanidipine SCHEMBL217099 1.00 ADORA3 (0.98) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL29349606 1.00 ADORA3 (0.98) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL9901189 0.99 ADORA3 (0.97) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL2964657 0.99 ADORA3 (0.97) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL2964655 0.99 ADORA3 (0.97) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL9901187 0.99 ADORA3 (0.97) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL9957683 0.99 ADORA3 (1.00) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL8415026 0.99 ADORA3 (1.00) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL25268 0.99 ADORA3 (1.00) ADORA3ADRA1AMTORRAB9ASLC6A3
Lercanidipine SCHEMBL25269 0.99 ADORA3 (1.00) ADORA3ADRA1AMTORRAB9ASLC6A3

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
EP-0825862-A1 USE OF(S)-ENANTIOMERS OF 1,4-DIHYDROPYRIDINE DERIVATIVES FOR TREATING HEART FAILURE RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1998-03-04 EP disclosed
US-5696139-A Use of S-enantiomers of 1,4-dihydropyridine derivatives for treating heart failure RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-12-09 US disclosed
WO-1996035420-A1 USE OF(S)-ENANTIOMERS OF 1,4-DIHYDROPYRIDINE DERIVATIVES FOR TREATING HEART FAILURE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1996-11-14 WO disclosed