SCHEMBL31472633

SCHEMBL31472633

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.52
▸ CHRNA7 P36544 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ EPHX2 P34913 5/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ F10 P00742 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ GRM3 Q14832 1/20 0.42

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
SCHEMBL31472635 1.00 GAA (0.52) GAACHRNA7TRPV1HTR3EHTR3B
SCHEMBL31472623 0.86 GAA (0.53) GAAEPHX2ALDH1A1TDP1NPC1
SCHEMBL31472619 0.85 GAA (0.52) GAAEPHX2MEN1KMT2AALDH1A1
SCHEMBL31472622 0.84 GAA (0.54) GAAEPHX2MEN1KMT2AALDH1A1
SCHEMBL31472630 0.84 GAA (0.54) GAAEPHX2MEN1KMT2AALDH1A1
SCHEMBL31472618 0.83 GRM5 (0.56) GAATRPV1MEN1KMT2ANPC1
SCHEMBL22617482 0.82 GAA (0.53) GAAEPHX2ALDH1A1TDP1
SCHEMBL22617484 0.82 GAA (0.53) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472627 0.81 EPHX2 (0.50) GAAALOX15EPHX2ALDH1A1NPC1
SCHEMBL31472628 0.81 EPHX2 (0.50) GAAALOX15EPHX2ALDH1A1NPC1

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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