Nifedipine

Nifedipine

SCHEMBL20187258

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-].COc1ccc(C(=O)C(OC(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Nifedipine. 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 4/20 0.55
CACNA1F known ✓ O60840 2/20 0.55
CACNA1D known ✓ Q01668 2/20 0.55
CACNA1S known ✓ Q13698 2/20 0.55
ADORA3 P0DMS8 6/20 0.55
MAPT P10636 6/20 0.55
CYP1A2 P05177 5/20 0.55
KMT2A Q03164 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 3/20 0.55
NFKB1 P19838 3/20 0.55
ABCC4 O15439 2/20 0.55
ABCB11 O95342 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
OPRM1 P35372 2/20 0.55
SCN1A P35498 2/20 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
SCHEMBL10552872 0.79 ADORA3 (0.76) ADORA3MAPTCYP1A2KMT2ACACNA1C
SCHEMBL10276913 0.78 RAB9A (0.54) MAPTKMT2ALMNATSHRHPGD
SCHEMBL10555442 0.75 ADORA3 (0.79) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL3968 0.74 ADORA3 (1.00) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL29349595 0.74 ADORA3 (1.00) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL1172946 0.74 ADORA3 (1.00) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL8851402 0.73 ADORA3 (0.97) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL5694031 0.73 ADORA3 (0.97) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL3858071 0.73 ADORA3 (0.97) ADORA3MAPTCYP1A2KMT2ACACNA1C
Nifedipine SCHEMBL27076587 0.73 ADORA3 (0.97) ADORA3MAPTCYP1A2KMT2ACACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454136-B2 Polymer electrolyte, polymer electrolyte composition, battery, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2019-10-22 US disclosed
US-10411298-B2 Polyelectrolyte composition, polyelectrolyte, battery, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2019-09-10 US disclosed
US-20180183098-A1 POLYMER ELECTROLYTE, POLYMER ELECTROLYTE COMPOSITION, BATTERY, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2018-06-28 US disclosed
US-20180151915-A1 POLYELECTROLYTE COMPOSITION, POLYELECTROLYTE, BATTERY, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2018-05-31 US disclosed