SCHEMBL8407654

SCHEMBL8407654

COC(=O)CC1CCN(c2ccc(-c3ccc(C#N)cc3)c(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KDM1A O60341 7/20 0.40
FFAR4 Q5NUL3 2/20 0.40
USP14 P54578 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CETP P11597 2/20 0.39
CHRM4 P08173 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL8409450 0.94 KDM1A (0.40) HRH2HRH1KDM1AEGLN1
SCHEMBL8407652 0.94 HRH2 (0.45) HRH2HRH1KDM1AFFAR4CETP
SCHEMBL8409543 0.89 KDM1A (0.41) HRH2HRH1KDM1AUSP14
SCHEMBL8718962 0.85 CHRM4 (0.38) KDM1ASIGMAR1ERAP1CHRM4
SCHEMBL8407515 0.80 KDM1A (0.38) KDM1A
SCHEMBL9170067 0.80 SIGMAR1 (0.59) SIGMAR1CHRM4CTSSCTSK
SCHEMBL9174372 0.78 CTSS (0.48) KDM1ASIGMAR1CHRM4CTSSCTSK
SCHEMBL9175929 0.78 CTSS (0.50) SIGMAR1CHRM4CTSSCTSK
SCHEMBL7753345 0.77 USP14 (0.52) FFAR4USP14SIGMAR1CHRM4CTSS
SCHEMBL8407178 0.76 KDM1A (0.38) KDM1AUSP14

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