SCHEMBL4880010

SCHEMBL4880010

CCC(=O)CN1C(C)=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
CACNA1F O60840 3/20 0.46
CACNA1D Q01668 3/20 0.46
CACNA1S Q13698 3/20 0.46
CACNA1B Q00975 2/20 0.46
ABCC4 O15439 2/20 0.46
ABCB11 O95342 2/20 0.46
CYP1A2 P05177 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
OPRM1 P35372 2/20 0.46
SCN1A P35498 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46

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
SCHEMBL28770058 0.88 ALDH1A1 (0.48) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL11688996 0.82 CACNA1D (0.48) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL11689003 0.82 CACNA1D (0.48) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL28318011 0.82 ADORA3 (0.49) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL4880853 0.80 ABCC4 (0.47) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL10516391 0.79 ALDH1A1 (0.51) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL5414545 0.79 ALDH1A1 (0.45) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL5414539 0.79 ALDH1A1 (0.45) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL10516412 0.79 ALDH1A1 (0.51) CACNA1CALDH1A1LMNAADORA3CACNA1F
SCHEMBL3142647 0.78 KDM4E (0.52) CACNA1CALDH1A1LMNAADORA3CACNA1F

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
US-20080095841-A1 Pharmaceutical Composition, Method for Producing the Same, and Method for Stabilizing Dihydropyridine Compound in the Pharmaceutical Composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-04-24 US disclosed
EP-1813274-A1 MEDICINAL COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND METHOD OF STABILIZING DIHYDROPYRIDINE COMPOUND IN MEDICINAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2007-08-01 EP disclosed