SCHEMBL29459609

SCHEMBL29459609

O=C(NCCBr)c1ccc(Cl)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.71
▸ EGLN1 Q9GZT9 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ DGAT1 O75907 1/20 0.46
▸ HIF1A Q16665 3/20 0.45
▸ GCGR P47871 1/20 0.43

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
SCHEMBL29262574 1.00 MAOB (0.71) MAOBEGLN1MAOANPC1RAB9A
SCHEMBL8973342 0.90 MAOB (0.81) MAOBEGLN1MAOANPC1RAB9A
SCHEMBL19835607 0.86 MAOB (0.76) MAOBEGLN1MAOANPC1RAB9A
Lazabemide SCHEMBL29710899 0.83 MAOB (1.00) MAOBEGLN1MAOANPC1RAB9A
SCHEMBL14329887 0.83 MAOB (0.71) MAOBEGLN1MAOANPC1RAB9A
SCHEMBL8396789 0.83 MAOB (0.71) MAOBEGLN1MAOANPC1RAB9A
Lazabemide SCHEMBL121998 0.83 MAOB (1.00) MAOBEGLN1MAOANPC1RAB9A
Lazabemide SCHEMBL20769840 0.83 MAOB (1.00) MAOBEGLN1MAOANPC1RAB9A
SCHEMBL16887934 0.82 MAOB (0.69) MAOBEGLN1MAOANPC1RAB9A
Lazabemide SCHEMBL1230476 0.82 MAOB (0.97) MAOBEGLN1MAOANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239886-A Morabamine compound and preparation method and application thereof 重庆师范大学 2024-06-25 — — CN claimed
CN-118239886-A Morabamine compound and preparation method and application thereof 重庆师范大学 2024-06-25 — — CN disclosed
CN-118239886-A Morabamine compound and preparation method and application thereof 重庆师范大学 2024-06-25 — — CN disclosed
CN-109422675-B Synthesis method of novel monoamine oxidase inhibitor molabemide 重庆师范大学 2022-03-08 — — CN disclosed
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