Manidipine 6300

Manidipine 6300

SCHEMBL6275097

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Manidipine 6300. 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
ADRA1A P35348 4/20 0.71
MAPT P10636 7/20 0.69
TDP1 Q9NUW8 5/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
CYP1A2 P05177 5/20 0.69
CYP3A4 P08684 5/20 0.69
CYP2C9 P11712 5/20 0.69
CYP2C19 P33261 5/20 0.69
CYP2D6 P10635 4/20 0.69
ABCB1 P08183 3/20 0.69
ADRA2A P08913 3/20 0.69
ADORA3 P0DMS8 3/20 0.69
ADRA2B P18089 2/20 0.69
ADRA2C P18825 2/20 0.69
ADRA1D P25100 2/20 0.69
ADRA1B P35368 2/20 0.69
TP53 P04637 2/20 0.69
CHRM2 P08172 2/20 0.69

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
Manidipine 6300 SCHEMBL247919 1.00 ADRA1A (0.71) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL137616 1.00 ADRA1A (0.71) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL1491200 1.00 ADRA1A (0.71) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL137617 1.00 ADRA1A (0.71) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL1491187 0.99 ADRA1A (0.70) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL1491189 0.99 ADRA1A (0.70) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL28927600 0.99 ADRA1A (0.70) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL247471 0.99 MAPT (0.70) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL29801590 0.99 MAPT (0.70) ADRA1AMAPTTDP1MEN1KMT2A
Manidipine 6300 SCHEMBL49368 0.99 MAPT (0.70) ADRA1AMAPTTDP1MEN1KMT2A

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-0628313-B1 Combination of an angiotensin-II antagonising benzimidazole with manidipine for the treatment of hypertension TAKEDA PHARMACEUTICAL (JP) 2005-11-30 EP disclosed