SCHEMBL8715690

SCHEMBL8715690

COC(=O)CC1CCCN(CCc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
HRH3 Q9Y5N1 12/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM1A O60341 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL8410355 0.94 LTA4H (0.54) LTA4HHRH3HRH2HRH1KCNJ1
SCHEMBL8409542 0.90 MAOB (0.52) LTA4HHRH3HRH2HRH1
SCHEMBL8407508 0.83 HRH3 (0.49) LTA4HHRH3HRH2HRH1KCNJ1
SCHEMBL8409445 0.83 CHRM4 (0.52) LTA4HHRH3KDM1A
Hydrochloric Acid SCHEMBL8407211 0.82 CHRNB2 (0.48) LTA4HHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL8407175 0.82 GAA (0.47) HRH3KDM1ANPC1RAB9A
SCHEMBL8720191 0.79 GRM3 (0.54) KDM1A
SCHEMBL8407650 0.78 CHRM4 (0.56) HRH3
SCHEMBL8407511 0.77 MLNR (0.46) LTA4HKDM1ARAB9A
SCHEMBL8409284 0.76 KCNH2 (0.55) 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 3 patents. 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
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