SCHEMBL9401571

SCHEMBL9401571

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cc3ncc[nH]3)cc2)C1c1nccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 18/20 0.45
ADORA3 P0DMS8 3/20 0.40
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
CACNA1H O95180 1/20 0.39
NR3C1 P04150 1/20 0.39
TBXA2R P21731 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 1/20 0.39
CACNA1C Q13936 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL9401549 0.90 CACNA1B (0.47) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401715 0.87 CACNA1B (0.61) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL7299623 0.86 CACNA1B (0.45) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401771 0.85 CACNA1B (0.48) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401648 0.85 PDE1C (0.57) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401883 0.83 KDM4E (0.55) CACNA1BHTTKMT2A
SCHEMBL9401831 0.83 CACNA1B (0.46) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401568 0.83 CACNA1B (0.44) CACNA1BMEN1KMT2A
SCHEMBL7293440 0.83 CACNA1B (0.64) CACNA1BADORA3MEN1MLNRNR1I2
SCHEMBL9401726 0.83 CACNA1B (0.60) CACNA1BADORA3MEN1MLNRNR1I2

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