SCHEMBL8143288

SCHEMBL8143288

O=C1NCCCc2cc(OCc3cccc(OCc4ncc5ccccc5n4)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.45
MAOB P27338 8/20 0.45
KCNA5 P22460 1/20 0.40
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL8145110 0.87 MAOA (0.62) MAOAMAOB
SCHEMBL8129843 0.86 CYSLTR1 (0.53)
SCHEMBL8140542 0.81 MAOB (0.55) MAOAMAOB
SCHEMBL5848736 0.80 MAOA (0.68) MAOAMAOB
SCHEMBL8140420 0.79 PDE10A (0.49) MAOAMAOB
SCHEMBL8145824 0.77 MAOB (0.63) MAOAMAOB
SCHEMBL8320614 0.74 CYSLTR1 (0.36) MAOAMAOBGRM5
SCHEMBL4415080 0.73 MAOB (0.64) MAOAMAOBGRM5
SCHEMBL8321628 0.73 CYSLTR1 (0.37) MAOAMAOBCYP1A2
SCHEMBL8144365 0.72 MAOA (0.64) MAOAMAOB

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-6011033-A ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION KOWA CO., LTD. (JP) 2000-01-04 US disclosed
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed