SCHEMBL8410355

SCHEMBL8410355

COC(=O)CC1CCN(CCc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
HRH3 Q9Y5N1 11/20 0.52
HRH2 P25021 7/20 0.47
HRH1 P35367 7/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM1A O60341 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CHRM4 P08173 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL8715690 0.94 LTA4H (0.48) LTA4HHRH3HRH2HRH1KCNJ1
SCHEMBL8409445 0.89 CHRM4 (0.52) LTA4HHRH3KDM1ACHRM4MAOA
SCHEMBL8407650 0.84 CHRM4 (0.56) HRH3CHRM4MAOAMAOBSIGMAR1
SCHEMBL8409542 0.83 MAOB (0.52) LTA4HHRH3HRH2HRH1CHRM4
SCHEMBL6631280 0.82 LTA4H (0.69) LTA4HSIGMAR1
SCHEMBL6206626 0.82 LTA4H (0.69) LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL8408022 0.81 LTA4H (0.50) LTA4HHRH3
SCHEMBL8407511 0.81 MLNR (0.46) LTA4HKDM1A
SCHEMBL8409284 0.80 KCNH2 (0.55) LTA4HHRH3HRH2HRH1KCNJ1
SCHEMBL8407508 0.79 HRH3 (0.49) LTA4HHRH3HRH2HRH1KCNJ1

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 5 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
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed