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Nicardipine

Nicardipine

SCHEMBL9094491

COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1.COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl.Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Nicardipine. 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 3/20 0.54
▸ CACNA1S known ✓ Q13698 2/20 0.49
▸ CACNA1F known ✓ O60840 1/20 0.49
▸ CACNA1D known ✓ Q01668 1/20 0.49
▸ CYP3A4 P08684 8/20 0.55
▸ LMNA P02545 6/20 0.55
▸ TSHR P16473 5/20 0.55
▸ CYP1A2 P05177 5/20 0.55
▸ CYP2C9 P11712 5/20 0.55
▸ CYP2C19 P33261 5/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ THPO P40225 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ GMNN O75496 1/20 0.55

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
Nicardipine SCHEMBL3972892 0.93 CYP3A4 (0.63) CYP3A4LMNATSHRCYP1A2CYP2C9
Diltiazem SCHEMBL9069266 0.85 CYP3A4 (0.63) CYP3A4LMNATSHRCYP1A2CYP2C9
Nicardipine SCHEMBL9449513 0.83 LMNA (0.80) CYP3A4LMNATSHRCYP1A2CYP2C9
Verapamil SCHEMBL9352908 0.81 CYP3A4 (0.41) CYP3A4LMNATSHRCYP1A2CYP2C9
Diltiazem SCHEMBL6789503 0.77 CACNA1S (0.62) CYP3A4LMNATSHRCYP1A2CYP2C9
Diltiazem SCHEMBL7859531 0.77 CACNA1S (0.69) CYP3A4LMNATSHRCYP1A2CYP2C9
SCHEMBL11852673 0.76 CACNA1C (0.74) CYP3A4LMNATSHRCYP1A2CYP2C9
Nicardipine SCHEMBL7625913 0.76 CYP1A2 (0.87) CYP3A4LMNATSHRCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11402267 0.76 LMNA (0.85) CYP3A4LMNATSHRCYP1A2CYP2C9
SCHEMBL9765780 0.75 CACNA1C (0.84) CYP3A4LMNATSHRCYP1A2CYP2C9

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-5576014-A MIXTURE OF SACCARIDE GRANULES HAVING LOW MOLDABILITY AND HIGH MOLDABILITY YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 1996-11-19 — — US disclosed