SCHEMBL9401788

SCHEMBL9401788

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.56
CACNA1F O60840 1/20 0.56
CACNA1D Q01668 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1B Q00975 14/20 0.52
GUSB P08236 1/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
CACNA1H O95180 1/20 0.45
NR3C1 P04150 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45

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
SCHEMBL9401691 0.92 CACNA1B (0.52) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9401747 0.90 CACNA1B (0.62) CACNA1CCACNA1BMEN1MLNRNR1I2
SCHEMBL9401615 0.90 CACNA1B (0.61) CACNA1CCACNA1BMEN1MLNRNR1I2
SCHEMBL9401541 0.89 CACNA1B (0.55) CACNA1CCACNA1BMEN1MLNRNR1I2
SCHEMBL9401716 0.88 CACNA1C (0.54) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9401709 0.88 CACNA1B (0.62) CACNA1CCACNA1BMEN1MLNRNR1I2
SCHEMBL9401436 0.88 CACNA1B (0.62) CACNA1CCACNA1BMEN1MLNRNR1I2
SCHEMBL9401613 0.88 CACNA1B (0.64) CACNA1B
SCHEMBL9401715 0.88 CACNA1B (0.61) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9401722 0.86 CACNA1B (0.62) CACNA1CCACNA1BMEN1MLNRNR1I2

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
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed