SCHEMBL24665389

SCHEMBL24665389

CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2cccc(Oc3ccc(-c4ccn[nH]4)cn3)c2)no1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 16/20 0.49
▸ SCN9A Q15858 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL30005335 1.00 LTA4H (0.49) LTA4HSCN9AAAK1POLBMAPT
SCHEMBL29123439 0.91 LTA4H (0.53) LTA4HSCN9A
SCHEMBL24665364 0.87 FFAR1 (0.39) SCN9AMAPTTACR1
SCHEMBL24665387 0.87 TACR1 (0.38) SCN9APOLBMAPTMAPK1TACR1
SCHEMBL30006042 0.87 LTA4H (0.56) LTA4H
SCHEMBL29123681 0.87 LTA4H (0.56) LTA4H
SCHEMBL24665399 0.87 LTA4H (0.56) LTA4H
SCHEMBL24664168 0.86 SCN9A (0.43) SCN9AMAPTMAPK1TACR1
SCHEMBL24665374 0.85 PTPN1 (0.39) SCN9APOLBMAPTMAPK1TACR1
SCHEMBL24664143 0.81 PPARD (0.43) LTA4HSCN9AMAPTMAPK1

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
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 — — WO disclosed
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