SCHEMBL9701616

SCHEMBL9701616

c1ccc2c(c1)NC(CN1CCCCC1)CO2

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
ABCB1 P08183 4/20 0.43
LTA4H P09960 4/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MOGAT2 Q3SYC2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9701340 0.87 GAA (1.00) GAAADRA2AADRA2BADRA2CADRA1D
SCHEMBL9700527 0.76 GAA (0.50) GAAADRA2AADRA2BADRA2CADRA1D
SCHEMBL11555342 0.75 GAA (0.59) GAASIGMAR1MOGAT2ALDH1A1HPGD
SCHEMBL9511671 0.74 GAA (0.57) GAAADRA2AADRA1ALMNAHTR1A
SCHEMBL5466546 0.74 GAA (0.57) GAAADRA2AADRA1ALMNAHTR1A
SCHEMBL11327486 0.74 GAA (0.57) GAALMNAMOGAT2HPGD
SCHEMBL9511664 0.74 GAA (0.57) GAALMNAMOGAT2
SCHEMBL10082773 0.74 LMNA (0.47) GAAADRA2AADRA2BADRA2CADRA1D
SCHEMBL9700561 0.73 GAA (0.71) GAALMNAALDH1A1
SCHEMBL9699375 0.73 GAA (0.50) GAAADRA2AADRA2BADRA2CADRA1D

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