SCHEMBL10481007

SCHEMBL10481007

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN)C1c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.64
CACNA1F O60840 1/20 0.64
CACNA1D Q01668 1/20 0.64
CACNA1S Q13698 1/20 0.64

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
SCHEMBL7431826 0.93 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11781966 0.91 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10743484 0.91 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11869125 0.88 CACNA1C (0.66) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9765702 0.88 CACNA1C (0.66) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10901014 0.88 CACNA1C (0.60) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10693034 0.88 CACNA1C (0.57) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11814102 0.87 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10749230 0.87 CACNA1F (0.59) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11521180 0.86 CACNA1F (0.61) CACNA1CCACNA1FCACNA1DCACNA1S

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-4808622-A ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4794187-A 35 S-labelled 1.4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1988-12-27 US disclosed