SCHEMBL29664498

SCHEMBL29664498

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.60
CYP1A2 P05177 4/20 0.60
CYP3A4 P08684 4/20 0.60
CYP2C19 P33261 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ABCB11 O95342 3/20 0.60
HIF1A Q16665 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2D6 P10635 2/20 0.60
NR1I2 O75469 2/20 0.60
NR3C1 P04150 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TBXA2R P21731 2/20 0.60
OPRK1 P41145 2/20 0.60
SLC6A3 Q01959 2/20 0.60
PDE4D Q08499 2/20 0.60
SCN5A Q14524 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60

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
SCHEMBL7273889 1.00 CYP2C9 (0.60) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7408943 0.91 CYP2C9 (0.73) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7267980 0.90 PYGL (0.61) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7275341 0.90 CYP2C9 (0.59) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
Imidazole SCHEMBL8912931 0.89 CYP2C9 (0.49) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL29808895 0.87 TSHR (0.62) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL2563899 0.87 TSHR (0.62) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL820019 0.86 KDM4E (0.78) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30872863 0.86 KDM4E (0.78) CYP2C9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL29663663 0.86 KDM4E (0.78) CYP2C9CYP1A2CYP3A4CYP2C19MEN1

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-114569581-A Felodipine sustained-release capsule and preparation method thereof 江苏联环药业股份有限公司 2022-06-03 CN disclosed
CN-110128249-B Synthetic method of felodipine intermediate 2, 3-dichlorobenzaldehyde 深圳市第二人民医院 2022-04-01 CN disclosed