SCHEMBL29123397

SCHEMBL29123397

NC(=O)OC(CO)Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.54
▸ LTA4H P09960 2/20 0.50
▸ FPR2 P25090 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL29123393 1.00 SCN9A (0.54) SCN9ALTA4HFPR2LMNAFFAR1
SCHEMBL29123469 0.90 SCN9A (0.46) SCN9ALTA4HFPR2FFAR1
SCHEMBL29123473 0.90 SCN9A (0.46) SCN9ALTA4HFPR2FFAR1
SCHEMBL30731680 0.89 SCN9A (0.53) SCN9ALTA4HFPR2LMNAFFAR1
SCHEMBL29123607 0.88 SCN9A (0.49) SCN9ALTA4HFPR2LMNAFFAR1
SCHEMBL29123780 0.87 LTA4H (0.51) SCN9ALTA4HFPR2LMNAFFAR1
SCHEMBL29123777 0.87 LTA4H (0.51) SCN9ALTA4HFPR2LMNAFFAR1
SCHEMBL29123608 0.86 LTA4H (0.52) SCN9ALTA4HFPR2FFAR1KCNH2
SCHEMBL29123605 0.86 LTA4H (0.52) SCN9ALTA4HFPR2FFAR1KCNH2
SCHEMBL27171402 0.85 LTA4H (0.67) SCN9ALTA4HFPR2LMNAFFAR1

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
CN-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 — — CN disclosed
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