SCHEMBL4708261

SCHEMBL4708261

NC1CCC1.O=C(O)NCC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.67
KCNH2 Q12809 9/20 0.66

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
SCHEMBL4693341 0.89 LTA4H (0.75) LTA4HKCNH2
SCHEMBL4689040 0.87 LTA4H (0.77) LTA4HKCNH2
SCHEMBL4692469 0.86 LTA4H (0.77) LTA4HKCNH2
SCHEMBL4692249 0.86 LTA4H (0.70) LTA4HKCNH2
SCHEMBL14093015 0.86 LTA4H (0.66) LTA4HKCNH2
Hydrochloric Acid SCHEMBL29674611 0.85 LTA4H (0.65) LTA4HKCNH2
SCHEMBL4689503 0.84 LTA4H (0.67) LTA4HKCNH2
SCHEMBL4692512 0.84 LTA4H (0.80) LTA4HKCNH2
SCHEMBL4692399 0.84 LTA4H (0.80) LTA4HKCNH2
Hydrochloric Acid SCHEMBL4688214 0.83 LTA4H (0.78) LTA4HKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed