SCHEMBL4693033

SCHEMBL4693033

O=C(NCCCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1)OC1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.45
EPHX2 P34913 2/20 0.45
KCNH2 Q12809 11/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4711521 0.93 LTA4H (0.42) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2168570 0.89 NPC1 (0.47) LTA4HEPHX2KCNH2SMN1; SMN2
SCHEMBL29674567 0.89 NPC1 (0.47) LTA4HEPHX2KCNH2SMN1; SMN2
SCHEMBL2168481 0.84 LTA4H (0.56) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2168019 0.83 LTA4H (0.55) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2169664 0.83 LTA4H (0.50) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2169610 0.82 LTA4H (0.50) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2167860 0.81 LTA4H (0.49) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2171303 0.80 LTA4H (0.56) LTA4HEPHX2KCNH2CYP1A2CYP3A4
SCHEMBL2169147 0.80 LTA4H (0.47) LTA4HEPHX2KCNH2CYP1A2CYP3A4

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-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed