SCHEMBL8407178

SCHEMBL8407178

COC(=O)CC1CCCN(c2ccc(-c3ccc(C#N)cc3)c(C=C=O)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.38
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 2/20 0.38
USP14 P54578 1/20 0.37
CHRM3 P20309 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL8407515 0.96 KDM1A (0.38) KDM1A
SCHEMBL8409141 0.91 USP14 (0.46) KDM1AUSP14CHRM3
SCHEMBL8718962 0.90 CHRM4 (0.38) KDM1ASLC16A3SLC16A1
SCHEMBL8409543 0.86 KDM1A (0.41) KDM1AUSP14CHRM3LRRK2
SCHEMBL8409450 0.82 KDM1A (0.40) KDM1A
SCHEMBL8407537 0.81 ALDH1A1 (0.47)
SCHEMBL8715693 0.76 KDM1A (0.42) KDM1ALRRK2
SCHEMBL8409552 0.76 LGMN (0.52) KDM1A
SCHEMBL8407654 0.76 HRH2 (0.41) KDM1AUSP14
SCHEMBL8720195 0.73 KDM1A (0.36) KDM1AUSP14CHRM3LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed