SCHEMBL30006916

SCHEMBL30006916

C[C@H](N)Cc1nc(-c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 1/20 0.45
▸ SCN9A Q15858 10/20 0.42
▸ THRB P10828 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ CDK2 P24941 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL29123324 0.89 LTA4H (0.54) MAPK1MAPTSCN9ATHRBCDK2
SCHEMBL24664170 0.89 LTA4H (0.54) MAPK1MAPTSCN9ATHRBCDK2
SCHEMBL30005275 0.88 LTA4H (0.52) SCN9AFPR2LTA4HFFAR1
SCHEMBL29123473 0.83 SCN9A (0.46) MAPK1SCN9AFPR2LTA4HFFAR1
SCHEMBL29123469 0.83 SCN9A (0.46) MAPK1SCN9AFPR2LTA4HFFAR1
SCHEMBL27171432 0.82 MAPK1 (0.49) MAPK1MAPTSCN9ATHRBALDH1A1
SCHEMBL29123537 0.80 MAPK1 (0.42) MAPK1MAPTSCN9AFFAR1
SCHEMBL29123536 0.80 MAPK1 (0.42) MAPK1MAPTSCN9AFFAR1
SCHEMBL29123534 0.80 MAPK1 (0.44) MAPK1MAPTSCN9AFFAR1
SCHEMBL24664167 0.80 MAPK1 (0.42) MAPK1MAPTSCN9AFFAR1

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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