SCHEMBL31472621

SCHEMBL31472621

O=C(N[C@H]1CC2C=CC1C2)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.47
▸ GAA P10253 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ GRM5 P41594 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL31472623 0.86 GAA (0.53) EPHX2GAAALDH1A1TDP1GRM5
SCHEMBL31472634 0.78 MEN1 (0.52) EPHX2GAAALDH1A1TDP1KDM4E
SCHEMBL31472622 0.78 GAA (0.54) EPHX2GAAALDH1A1TDP1NPC1
SCHEMBL31472630 0.78 GAA (0.54) EPHX2GAAALDH1A1TDP1NPC1
SCHEMBL22617482 0.77 GAA (0.53) EPHX2GAAALDH1A1TDP1CES2
SCHEMBL22617484 0.77 GAA (0.53) EPHX2GAAALDH1A1TDP1CES2
SCHEMBL31472633 0.76 GAA (0.52) EPHX2GAAALDH1A1TDP1NPC1
SCHEMBL31472619 0.76 GAA (0.52) EPHX2GAAALDH1A1TDP1NPC1
SCHEMBL31472635 0.76 GAA (0.52) EPHX2GAAALDH1A1TDP1NPC1
SCHEMBL31472626 0.75 GLA (0.47) EPHX2GAAALDH1A1TDP1NPC1

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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