SCHEMBL9700429

SCHEMBL9700429

CCN(CC)CC1COc2cccc3c(Sc4ccccc4)c(C)n1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
CNR1 P21554 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RGS12 O14924 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10380519 0.82 CNR1 (0.49) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9701356 0.81 CNR1 (0.48) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9699341 0.80 CNR1 (0.59) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9699255 0.76 SLC6A4 (0.33) MEN1KMT2ASMN1; SMN2LMNASLC6A4
SCHEMBL9700286 0.72 PTGDR2 (0.34) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9700471 0.71 CNR2 (0.35) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9700412 0.70 DRD2 (0.33) CNR2CNR1ALDH1A1MAPTCYP3A4
SCHEMBL9701576 0.70 PTGDR2 (0.33) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9701429 0.69 CNR1 (0.39) CNR2CNR1ALDH1A1MAPTNPC1
SCHEMBL9701305 0.69 CNR1 (0.39) 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 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