SCHEMBL7439666

SCHEMBL7439666

COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)OCCCCCCBr)C1c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.51
CACNA1D Q01668 7/20 0.51
CACNA1S Q13698 7/20 0.51
CACNA1C Q13936 7/20 0.51
CACNA1B Q00975 2/20 0.49
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL7370072 1.00 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL27404285 0.91 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7374956 0.90 CACNA1B (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7329073 0.87 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7372306 0.84 CACNA1C (0.49) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7369783 0.84 CACNA1C (0.49) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7327248 0.83 HIF1A (0.65) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7552226 0.81 CYP2C9 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7446669 0.81 CYP2C9 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7370944 0.81 TBXA2R (0.51) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed