SCHEMBL9401422

SCHEMBL9401422

COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccc(Cn3ccnc3)cc2)C1c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.61
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
CACNA1H O95180 1/20 0.46
NR3C1 P04150 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TBXA2R P21731 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46
CACNA1C Q13936 1/20 0.46
SLC29A1 Q99808 1/20 0.46

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
SCHEMBL9401428 1.00 CACNA1B (0.61) CACNA1BPOLBMEN1MLNRNR1I2
SCHEMBL9401588 0.92 CACNA1B (0.59) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401594 0.92 CACNA1B (0.59) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401595 0.92 CACNA1B (0.65) CACNA1B
SCHEMBL9401589 0.92 CACNA1B (0.65) CACNA1B
SCHEMBL9401519 0.92 CACNA1B (0.54) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401525 0.92 CACNA1B (0.54) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401704 0.91 CACNA1B (0.53) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401698 0.91 CACNA1B (0.53) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL9401732 0.91 CACNA1B (0.61) CACNA1BMEN1MLNRNR1I2CACNA1H

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