SCHEMBL9700421

SCHEMBL9700421

NCC1COc2ccccc2N1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA1A P35348 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL10378996 0.81 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL9700614 0.79 ADRA2A (0.57) LMNAADRA2AADRA1AHTR1AADRA2B
SCHEMBL9700223 0.79 LTA4H (0.42) SMN1; SMN2NPSR1LMNAHPGDCA2
SCHEMBL9701406 0.78 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL25434899 0.77 GAA (0.51) NPC1RAB9AADRA2AADRA1AGAA
SCHEMBL9700311 0.77 GAA (0.51) NPC1RAB9AADRA2AADRA1AGAA
SCHEMBL9699269 0.74 NOTUM (0.38) SMN1; SMN2CA2
Hydrochloric Acid SCHEMBL11562793 0.73 NPSR1 (0.45) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL6434742 0.72 LMNA (0.54) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL441013 0.71 CA2 (0.53) CA2NISCHADRA2AADRA1AHTR1A

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 10 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-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-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
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
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
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