SCHEMBL7265693

SCHEMBL7265693

CC[S+]([O-])C1=C(C)NC(C)=C(C(=O)O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.55
CACNA1D Q01668 5/20 0.55
CACNA1C Q13936 4/20 0.55
ADORA3 P0DMS8 3/20 0.55
CACNA1F O60840 3/20 0.55
CACNA1S Q13698 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
ABCC4 O15439 2/20 0.55
ABCB11 O95342 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 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
HTR2B P41595 2/20 0.55
KCNH2 Q12809 2/20 0.55
SCN5A Q14524 2/20 0.55
SCN2A Q99250 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
SCHEMBL7266702 0.87 CACNA1D (0.58) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL7275922 0.84 CACNA1C (0.55) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL612520 0.84 CACNA1C (0.73) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL4608748 0.84 CACNA1C (0.73) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL7275522 0.83 TSHR (0.41) CACNA1DCACNA1CADORA3CACNA1FCACNA1S
SCHEMBL7265431 0.80 ADORA3 (0.63) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL9138577 0.80 CACNA1C (0.67) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL7412221 0.80 CACNA1B (0.74) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL7266381 0.80 CACNA1B (0.74) CACNA1BCACNA1DCACNA1CADORA3CACNA1F
SCHEMBL7272621 0.79 CACNA1D (0.56) CACNA1BCACNA1DCACNA1CADORA3CACNA1F

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-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed