SCHEMBL8720195

SCHEMBL8720195

COC(=O)CC1CCCN(C2=CC=C(c3ccc(C#N)cc3)C(=C=O)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.36
USP14 P54578 1/20 0.34
USP30 Q70CQ3 2/20 0.34
CHRM3 P20309 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL8717927 0.95 USP30 (0.36) KDM1AUSP30
SCHEMBL8410942 0.91 USP14 (0.43) KDM1AUSP14USP30CHRM3
SCHEMBL8407571 0.89 SIGMAR1 (0.37) KDM1AUSP14USP30
SCHEMBL8719954 0.80 USP14 (0.42) KDM1AUSP14
SCHEMBL8409444 0.79 POLB (0.38)
Hydrochloric Acid SCHEMBL8714669 0.75 LTA4H (0.33)
SCHEMBL8409543 0.74 KDM1A (0.41) KDM1AUSP14CHRM3LRRK2
SCHEMBL8407178 0.73 KDM1A (0.38) KDM1AUSP14CHRM3LRRK2
SCHEMBL8409542 0.72 MAOB (0.52)
SCHEMBL8720191 0.72 GRM3 (0.54) KDM1A

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