SCHEMBL30005275

SCHEMBL30005275

C[C@H](N)Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ SCN9A Q15858 14/20 0.50
▸ FPR2 P25090 1/20 0.50
▸ LMNA P02545 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ FFAR1 O14842 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
SCHEMBL30006916 0.88 MAPK1 (0.51) LTA4HSCN9AFPR2FFAR1
SCHEMBL27204647 0.88 LTA4H (0.67) LTA4HSCN9AFPR2LMNAKCNH2
SCHEMBL27171402 0.88 LTA4H (0.67) LTA4HSCN9AFPR2LMNAKCNH2
SCHEMBL30731680 0.86 SCN9A (0.53) LTA4HSCN9AFPR2LMNAFFAR1
SCHEMBL30689299 0.85 FFAR1 (0.51) LTA4HSCN9AFPR2LMNAFFAR1
SCHEMBL30827390 0.84 LTA4H (0.52) LTA4HSCN9AFPR2KCNH2
SCHEMBL30689322 0.84 LMNA (0.47) LTA4HSCN9AFPR2LMNAFFAR1
SCHEMBL30689380 0.84 LMNA (0.54) LTA4HSCN9AFPR2LMNAFFAR1
SCHEMBL29123397 0.81 SCN9A (0.54) LTA4HSCN9AFPR2LMNAKCNH2
SCHEMBL29123393 0.81 SCN9A (0.54) LTA4HSCN9AFPR2LMNAKCNH2

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
EP-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 — — EP disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 — — WO disclosed
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