SCHEMBL9401564

SCHEMBL9401564

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccc(Cn3ccnc3)cc2)C1c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.54
ADORA3 P0DMS8 4/20 0.45
CACNA1C Q13936 4/20 0.45
CYP1A2 P05177 4/20 0.45
KMT2A Q03164 4/20 0.45
HIF1A Q16665 4/20 0.45
LMNA P02545 3/20 0.45
CYP3A4 P08684 3/20 0.45
MAPT P10636 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
ABCC4 O15439 2/20 0.45
CACNA1F O60840 2/20 0.45
ABCB11 O95342 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
OPRM1 P35372 2/20 0.45
SCN1A P35498 2/20 0.45
HTR2B P41595 2/20 0.45
CACNA1D Q01668 2/20 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
SCHEMBL9401555 1.00 CACNA1B (0.54) CACNA1BADORA3CACNA1CCYP1A2KMT2A
SCHEMBL9401406 0.93 CACNA1B (0.63) CACNA1BADORA3CACNA1CCYP1A2KMT2A
SCHEMBL9401398 0.93 CACNA1B (0.63) CACNA1BADORA3CACNA1CCYP1A2KMT2A
SCHEMBL9401794 0.92 CACNA1B (0.54) CACNA1BADORA3CACNA1CCYP1A2KMT2A
SCHEMBL9401797 0.92 CACNA1B (0.54) CACNA1BADORA3CACNA1CCYP1A2KMT2A
SCHEMBL9401692 0.90 CACNA1B (0.45) CACNA1BADORA3CYP1A2KMT2AHIF1A
SCHEMBL9401689 0.90 CACNA1B (0.45) CACNA1BADORA3CYP1A2KMT2AHIF1A
SCHEMBL9401560 0.89 CACNA1B (0.46) CACNA1BADORA3CYP1A2KMT2AHIF1A
SCHEMBL9401554 0.89 CACNA1B (0.46) CACNA1BADORA3CYP1A2KMT2AHIF1A
SCHEMBL9401866 0.88 CACNA1B (0.46) CACNA1BCYP1A2KMT2ALMNACYP3A4

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