SCHEMBL7122635

SCHEMBL7122635

Cn1nc(OCc2ccccc2)c2cc(N)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.70
▸ CNR1 P21554 6/20 0.70
▸ ACHE P22303 3/20 0.70
▸ BCHE P06276 2/20 0.49
▸ MAOB P27338 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AS3MT Q9HBK9 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ATP4A P20648 1/20 0.41
▸ ATP4B P51164 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40

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
SCHEMBL7111766 0.79 CNR2 (0.79) CNR2CNR1ACHEBCHEMAPT
SCHEMBL3366921 0.76 CNR2 (0.40) CNR2CNR1ACHEBCHEGAA
SCHEMBL7120419 0.74 CNR2 (0.79) CNR2CNR1ACHEBCHEMAPT
SCHEMBL15081375 0.71 SCN9A (0.40) CNR2CNR1ACHEBCHEMAPT
SCHEMBL13923710 0.70 MAOB (0.53) CNR2CNR1MAOBRAB9ASMN1; SMN2
SCHEMBL31202522 0.70 AS3MT (0.50) MAOBGAAMAPTMAOARAB9A
SCHEMBL22392759 0.70 CNR2 (0.72) CNR2CNR1ACHEBCHESMN1; SMN2
SCHEMBL22392837 0.70 CNR2 (1.00) CNR2CNR1ACHEBCHERAB9A
SCHEMBL8305195 0.70 AS3MT (0.50) MAOBGAAMAPTMAOARAB9A
SCHEMBL22890209 0.69 CNR2 (0.52) CNR2CNR1ACHEMAOBGAA

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
WO-2003028762-A1 NOVEL ANTIMICROBIAL RESISTANCE BLOCKING COMPOSITIONS ETHICON, INC. (US) 2003-04-10 — — WO disclosed
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