SCHEMBL9701389

SCHEMBL9701389

CCN(CC)CC1Cn2c(C)c(C(=O)c3cccc4ccccc34)c3cccc(c32)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.47
CNR2 P34972 13/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
RGS12 O14924 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9701601 0.86 CNR1 (0.49) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9701446 0.85 CNR1 (0.48) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9699267 0.84 CNR1 (0.56) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9700227 0.84 CNR1 (0.56) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9701497 0.83 CNR1 (0.55) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9701307 0.82 CNR1 (0.54) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9700462 0.82 CNR1 (0.66) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9700276 0.82 CNR1 (0.41) CNR1CNR2CYP2C19
SCHEMBL9700381 0.81 CNR1 (0.54) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9700456 0.79 CNR1 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed