SCHEMBL9701595

SCHEMBL9701595

O=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OCC2CN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.77
CNR2 P34972 8/20 0.77
ALDH1A1 P00352 3/20 0.68
MAPT P10636 1/20 0.68
NPC1 O15118 1/20 0.68
MTOR P42345 1/20 0.68
RAB9A P51151 1/20 0.68
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
RGS12 O14924 1/20 0.63
GMNN O75496 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP2D6 P10635 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63

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
SCHEMBL9699241 0.81 CNR1 (0.75) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL118531 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29410177 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29381882 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29611661 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL3680086 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL29361053 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL10093015 0.81 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL31338445 0.80 CNR1 (0.96) CNR1CNR2ALDH1A1MAPTNPC1
Win-552122 SCHEMBL8071465 0.78 CNR1 (1.00) CNR1CNR2ALDH1A1MAPTNPC1

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 6 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
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
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 disclosed