SCHEMBL31472623

SCHEMBL31472623

O=C(N[C@H]1CC2C=CC1C2)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SSTR3 P32745 7/20 0.48
▸ EPHX2 P34913 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GRM2 Q14416 1/20 0.43
▸ GRM3 Q14832 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL22617484 0.87 GAA (0.53) GAAEPHX2ALDH1A1TDP1
SCHEMBL22617482 0.87 GAA (0.53) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472621 0.86 EPHX2 (0.47) GAANPC1RAB9ASSTR3EPHX2
SCHEMBL31472633 0.86 GAA (0.52) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472619 0.86 GAA (0.52) GAANPC1RAB9ASSTR3EPHX2
SCHEMBL31472635 0.86 GAA (0.52) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472622 0.86 GAA (0.54) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472630 0.86 GAA (0.54) GAANPC1RAB9AEPHX2ALDH1A1
SCHEMBL31472627 0.82 EPHX2 (0.50) GAANPC1RAB9ASSTR3EPHX2
SCHEMBL31472628 0.82 EPHX2 (0.50) GAANPC1RAB9ASSTR3EPHX2

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-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 — — CN disclosed
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