SCHEMBL30516333

SCHEMBL30516333

CCN1C(C)=C(C(=O)O)C(C)(c2ccccc2Cl)C(C(=O)O)=C1COCC[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.32
PYGM P11217 3/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL30516330 1.00 PYGL (0.32) PYGLPYGMPOLB
SCHEMBL30516327 0.87 PYGL (0.34) PYGLPYGM
SCHEMBL30656597 0.86 HTR1A (0.39) PYGLPYGM
SCHEMBL6825360 0.80 HTR1A (0.37) PYGLPYGM
SCHEMBL7154241 0.74 HTR1A (0.38)
SCHEMBL2365028 0.71 TSHR (0.37) PYGLPYGM
SCHEMBL4758043 0.69 CRHBP (0.40) POLB
SCHEMBL4756140 0.67 CRHBP (0.35)
SCHEMBL4880017 0.64 TSHR (0.38) POLB
SCHEMBL7424308 0.64 ALDH1A1 (0.38) PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010801-B Preparation method of amlodipine alkali 山东汇海医药化工有限公司 2023-07-28 CN claimed
CN-112010801-B Preparation method of amlodipine alkali 山东汇海医药化工有限公司 2023-07-28 CN disclosed