SCHEMBL9700301

SCHEMBL9700301

O=[N+]([O-])c1ccccc1OCC(O)CN1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.84
MAPT P10636 1/20 0.66
NPY1R P25929 1/20 0.66
HTT P42858 1/20 0.66
NPY2R P49146 1/20 0.66
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
ABCB1 P08183 8/20 0.63
ADRB2 P07550 2/20 0.62
ADRB1 P08588 2/20 0.62
ADRB3 P13945 2/20 0.62
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL20682737 0.91 L3MBTL1 (1.00) L3MBTL1MAPTNPY1RHTTNPY2R
SCHEMBL15709049 0.91 L3MBTL1 (1.00) L3MBTL1MAPTNPY1RHTTNPY2R
SCHEMBL13915620 0.82 TDP1 (0.59) L3MBTL1MAPTNPY1RHTTNPY2R
SCHEMBL6776915 0.81 L3MBTL1 (0.55) L3MBTL1ABCB1KMT2ASMN1; SMN2NPC1
SCHEMBL20854834 0.80 L3MBTL1 (0.77) L3MBTL1MAPTNPY1RHTTNPY2R
SCHEMBL1852361 0.79 CYP2D6 (0.88) L3MBTL1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL22640107 0.79 LMNA (0.82) L3MBTL1MAPTNPY1RNPY2RCYP1A2
SCHEMBL16370541 0.79 LMNA (0.82) L3MBTL1MAPTNPY1RNPY2RCYP1A2
SCHEMBL15296749 0.79 ADRB2 (0.73) L3MBTL1HTTCYP1A2CYP2C19ABCB1
SCHEMBL10769968 0.79 ADRB2 (0.69) L3MBTL1CYP1A2CYP2C19ABCB1ADRB2

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