SCHEMBL29123607

SCHEMBL29123607

CC(C)(C)NC(=O)O[C@H](CO)Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.49
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ FPR2 P25090 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ LIPE Q05469 1/20 0.40

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
SCHEMBL29123534 0.91 MAPK1 (0.44) SCN9ALMNAMAPTFFAR1
SCHEMBL29123393 0.88 SCN9A (0.54) SCN9ALMNALTA4HFPR2FFAR1
SCHEMBL29123397 0.88 SCN9A (0.54) SCN9ALMNALTA4HFPR2FFAR1
SCHEMBL29123609 0.82 SCN9A (0.47) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL30006191 0.82 SCN9A (0.47) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL30689380 0.81 LMNA (0.54) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL30689299 0.81 FFAR1 (0.51) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL27171425 0.81 SCN9A (0.50) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL27204771 0.81 SCN9A (0.50) SCN9ALMNALTA4HFPR2MAPT
SCHEMBL27204647 0.80 LTA4H (0.67) SCN9ALMNALTA4HFPR2FFAR1

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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