SCHEMBL31472618

SCHEMBL31472618

O=C(N[C@H]1CC2C=CC1C2)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ GRM2 Q14416 1/20 0.46
▸ GRM3 Q14832 1/20 0.46

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
SCHEMBL31472629 0.84 NPC1 (0.53) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL31472633 0.83 GAA (0.52) L3MBTL1NPC1RAB9ATRPV1MEN1
SCHEMBL31472635 0.83 GAA (0.52) L3MBTL1NPC1RAB9ATRPV1MEN1
SCHEMBL31472630 0.83 GAA (0.54) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL31472622 0.83 GAA (0.54) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL31472625 0.81 GRM5 (0.52) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL31472626 0.77 GLA (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8025278 0.76 GRM5 (0.59) GRM5L3MBTL1NPC1RAB9ATRPV1
SCHEMBL31472623 0.76 GAA (0.53) GRM5NPC1RAB9AGAAGRM2
SCHEMBL31472621 0.74 EPHX2 (0.47) GRM5NPC1RAB9AGAA

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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