SCHEMBL10378992

SCHEMBL10378992

Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2cccc3c2n1C(CN1CCOCC1)CO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.79
CNR1 P21554 7/20 0.79
ALDH1A1 P00352 3/20 0.79
MAPT P10636 1/20 0.79
NPC1 O15118 1/20 0.79
MTOR P42345 1/20 0.79
RAB9A P51151 1/20 0.79
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
RGS12 O14924 1/20 0.73
GMNN O75496 1/20 0.73
LMNA P02545 1/20 0.73
TP53 P04637 1/20 0.73
CYP2D6 P10635 1/20 0.73
ALOX15 P16050 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
CYP2C19 P33261 1/20 0.73
THPO P40225 1/20 0.73
BLM P54132 1/20 0.73

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
SCHEMBL9728557 0.96 CNR2 (0.81) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9701637 0.89 CNR2 (0.75) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29381882 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL118531 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL10093015 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29410177 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29611661 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL3680086 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29361053 0.88 CNR1 (1.00) CNR2CNR1ALDH1A1MAPTNPC1
Win-552122 SCHEMBL31338445 0.87 CNR1 (0.96) CNR2CNR1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO claimed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US claimed