SCHEMBL8715693

SCHEMBL8715693

CCc1ccc(-c2ccc(C#N)cc2N2CCCC(CC(=O)OC)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.42
LRRK2 Q5S007 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL8409543 0.79 KDM1A (0.41) KDM1ALRRK2
SCHEMBL8407178 0.76 KDM1A (0.38) KDM1ALRRK2
SCHEMBL8409542 0.75 MAOB (0.52) LTA4H
SCHEMBL8409450 0.74 KDM1A (0.40) KDM1A
SCHEMBL8715690 0.74 LTA4H (0.48) KDM1ALTA4H
SCHEMBL8407175 0.74 GAA (0.47) KDM1A
SCHEMBL8407652 0.72 HRH2 (0.45) KDM1AFFAR4
SCHEMBL8720191 0.71 GRM3 (0.54) KDM1A
SCHEMBL8409445 0.71 CHRM4 (0.52) KDM1ALTA4H
SCHEMBL8720195 0.71 KDM1A (0.36) KDM1ALRRK2

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-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed