Nisoldipine

Nisoldipine

SCHEMBL19348996

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-].COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Nisoldipine. 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 10/20 1.00
CACNA1F known ✓ O60840 9/20 1.00
CACNA1D known ✓ Q01668 9/20 1.00
CACNA1S known ✓ Q13698 9/20 1.00
ADORA3 P0DMS8 4/20 1.00
LMNA P02545 3/20 1.00
CYP1A2 P05177 3/20 1.00
ABCC4 O15439 2/20 1.00
ABCB11 O95342 2/20 1.00
ADORA2A P29274 2/20 1.00
ADORA1 P30542 2/20 1.00
OPRM1 P35372 2/20 1.00
SCN1A P35498 2/20 1.00
HTR2B P41595 2/20 1.00
KCNH2 Q12809 2/20 1.00
SCN5A Q14524 2/20 1.00
SCN2A Q99250 2/20 1.00
SCN3A Q9NY46 2/20 1.00
NR1I2 O75469 1/20 1.00
NR3C1 P04150 1/20 1.00

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
Nisoldipine SCHEMBL1172989 1.00 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL29420725 1.00 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL39779 1.00 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL39780 1.00 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL919020 0.99 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL27608147 0.99 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL3855961 0.99 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL4608536 0.96 CACNA1D (0.92) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9765770 0.93 CACNA1C (0.86) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7432246 0.92 CACNA1C (0.84) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145940-A1 NEUROTOXIN COMPOSITIONS FOR USE IN TREATING CARDIOVASCULAR DISORDERS DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-11 US disclosed
EP-4117528-A1 NEUROTOXIN COMPOSITIONS FOR USE IN TREATING CARDIOVASCULAR DISORDERS Aeon Biopharma, Inc. (US) 2023-01-18 EP disclosed
WO-2021183962-A1 NEUROTOXIN COMPOSITIONS FOR USE IN TREATING CARDIOVASCULAR DISORDERS AEON Biopharma, Inc. (US) 2021-09-16 WO disclosed
US-20200330457-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CUSHING'S SYNDROME USING 2S, 4R KETOCONAZOLE HAYFIN SERVICES LLP (GB) 2020-10-22 US disclosed
US-20190336498-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CUSHING'S SYNDROME USING 2S, 4R KETOCONAZOLE HAYFIN SERVICES LLP (GB) 2019-11-07 US disclosed
US-20180338971-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CUSHING'S SYNDROME USING 2S, 4R KETOCONAZOLE STRONGBRIDGE DUBLIN LIMITED (IE) 2018-11-29 US disclosed
US-20170266183-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CUSHING'S SYNDROME USING 2S, 4R KETOCONAZOLE STRONGBRIDGE IRELAND LIMITED 2017-09-21 US disclosed