SCHEMBL7120419

SCHEMBL7120419

CCOc1nn(Cc2ccccc2)c2ccc(N)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.79
▸ CNR1 P21554 6/20 0.79
▸ ACHE P22303 4/20 0.79
▸ KDM4E B2RXH2 3/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ GUCY1B2 O75343 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ GUCY1A2 P33402 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ GUCY1A1 Q02108 1/20 0.50

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
SCHEMBL8043123 0.84 CNR2 (0.74) CNR2CNR1ACHEKDM4ESLC6A4
SCHEMBL12092607 0.84 CNR2 (0.76) CNR2CNR1ACHEKDM4ESLC6A4
SCHEMBL14910018 0.84 CNR2 (0.54) CNR2CNR1ACHEKDM4EBCHE
SCHEMBL7119866 0.80 CNR2 (0.81) CNR2CNR1ACHEBCHEMEN1
SCHEMBL3322212 0.80 CNR1 (0.64) CNR2CNR1ACHEKDM4ECYP1A2
SCHEMBL7122635 0.74 CNR2 (0.70) CNR2CNR1ACHESLC6A4BCHE
SCHEMBL9917392 0.73 CYP1A2 (0.72) CNR2CNR1ACHEKDM4ESLC6A4
SCHEMBL6973836 0.72 CNR2 (0.54) CNR2CNR1ACHEKDM4ESLC6A4
SCHEMBL30602797 0.71 CNR2 (0.53) CNR2CNR1ACHEKDM4ESLC6A4
Hydrochloric Acid SCHEMBL6968039 0.71 CNR2 (0.53) CNR2CNR1ACHEKDM4ESLC6A4

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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