SCHEMBL8407652

SCHEMBL8407652

COC(=O)CC1CCN(c2ccc(-c3ccc(C#N)cc3C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
CETP P11597 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
EGLN1 Q9GZT9 5/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
KDM1A O60341 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CHRM4 P08173 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL8407654 0.94 HRH2 (0.41) HRH2HRH1CETPFFAR4EGLN1
SCHEMBL8409450 0.88 KDM1A (0.40) HRH2HRH1EGLN1KDM1A
SCHEMBL8409543 0.83 KDM1A (0.41) HRH2HRH1KDM1A
SCHEMBL8718962 0.82 CHRM4 (0.38) KDM1ACHRM4
SCHEMBL9170067 0.80 SIGMAR1 (0.59) CHRM4CTSSCTSK
SCHEMBL9174372 0.78 CTSS (0.48) KDM1ACHRM4CTSSCTSK
SCHEMBL9175929 0.78 CTSS (0.50) CHRM4CTSSCTSK
SCHEMBL7753345 0.77 USP14 (0.52) FFAR4CHRM4CTSSCTSK
SCHEMBL8407515 0.76 KDM1A (0.38) KDM1A
SCHEMBL5536327 0.75 DGAT1 (0.37) CETP

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