SCHEMBL29245886

SCHEMBL29245886

COC(=O)Nc1cc(C2CC2N)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 19/20 0.51
▸ MAOA P21397 4/20 0.48
▸ KCNH2 Q12809 2/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ MAOB P27338 3/20 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
SCHEMBL31067540 1.00 KDM1A (0.51) KDM1AMAOAKCNH2KDM1BMAOB
SCHEMBL29245879 0.86 GLA (0.40) —
SCHEMBL31067621 0.86 GLA (0.40) —
Hydrochloric Acid SCHEMBL17002961 0.76 KDM1A (0.59) KDM1AMAOAKCNH2KDM1BMAOB
Hydrochloric Acid SCHEMBL17002963 0.76 KDM1A (0.59) KDM1AMAOAKCNH2KDM1BMAOB
SCHEMBL2306460 0.74 KDR (0.49) —
SCHEMBL4827923 0.74 HPGD (0.70) —
SCHEMBL9615374 0.71 RAB9A (0.58) —
SCHEMBL28928511 0.71 LOXL2 (0.44) —
SCHEMBL29245888 0.70 HPGD (0.41) —

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
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