SCHEMBL31067701

SCHEMBL31067701

Nc1cccc(N(CCC2CC2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.39
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ACHE P22303 7/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ HTR7 P34969 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL18604915 1.00 KLKB1 (0.39) KLKB1MAOAMAOBKDM4EMEN1
SCHEMBL18604654 0.77 MAOA (0.44) MAOAMAOBKDM4EMAPTTDP1
SCHEMBL28883135 0.77 MAOA (0.44) MAOAMAOBKDM4EMEN1LMNA
SCHEMBL29825453 0.77 MAOA (0.44) MAOAMAOBKDM4EMAPTTDP1
SCHEMBL17064932 0.76 ACHE (0.45) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL1466819 0.73 MAOA (0.47) MAOAMAOBKDM4EMAPTTDP1
SCHEMBL30446809 0.70 HRH1 (0.40) KLKB1MAOAMAOBKDM4EMEN1
SCHEMBL17064662 0.70 HRH1 (0.40) KLKB1MAOAMAOBKDM4EMEN1
SCHEMBL24054852 0.69 TAAR1 (0.42) CYP3A4CASP1RECQLOPRM1OPRD1
SCHEMBL4667347 0.69 ALDH1A1 (0.38) MAOAKDM4EMAPTGFERTDP1

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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