SCHEMBL8637775

SCHEMBL8637775

CCN1CCCC1Oc1ccc(Cc2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASR P41180 1/20 0.38
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8644129 0.88 LMNA (0.41) SPHK2SPHK1CARM1PRMT6LTA4H
SCHEMBL8636128 0.87 MAOB (0.56) MAOAMAOBSPHK2SPHK1
SCHEMBL8641109 0.86 LTA4H (0.52) SPHK2SIGMAR1LTA4HALDH1A1ADRA1A
SCHEMBL8638269 0.86 LTA4H (0.50) SPHK2SPHK1SIGMAR1CARM1PRMT6
SCHEMBL8637445 0.83 HRH1 (0.46) SIGMAR1LTA4HHRH1HRH3
SCHEMBL8639270 0.80 LTA4H (0.44) SPHK2SPHK1SIGMAR1CARM1PRMT6
SCHEMBL8640950 0.80 SCN3A (0.43) SPHK2SPHK1LTA4HALDH1A1SMN1; SMN2
SCHEMBL8637439 0.79 LTA4H (0.50) SIGMAR1TMEM97DRD4LTA4HALDH1A1
SCHEMBL8641764 0.79 HRH3 (0.50) SPHK2SPHK1SIGMAR1LTA4HHRH3
SCHEMBL8642301 0.78 FAAH (0.44) ALDH1A1

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed