SCHEMBL9700223

SCHEMBL9700223

CCN(CC)CC1COc2ccccc2N1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
P2RX4 Q99571 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9699236 0.80 LTA4H (0.40) LTA4HL3MBTL1CA2HTR2AHTR2C
SCHEMBL9700421 0.79 SMN1; SMN2 (0.38) LTA4HL3MBTL1CA2SMN1; SMN2LMNA
SCHEMBL9699225 0.72 HTR2A (0.42) LTA4HCA2HTR2AHTR2CHRH1
SCHEMBL9700614 0.71 ADRA2A (0.57) LTA4HLMNAALDH1A1
SCHEMBL25434899 0.70 GAA (0.51) LTA4HMEN1KMT2AGAAALDH1A1
SCHEMBL9700311 0.70 GAA (0.51) LTA4HMEN1KMT2AGAAALDH1A1
Diethylamine SCHEMBL9700231 0.70 SMN1; SMN2 (0.45) LTA4HL3MBTL1CA2SMN1; SMN2MEN1
SCHEMBL13490300 0.69 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL9700471 0.67 CNR2 (0.35) LTA4HL3MBTL1HTR2AHTR2CSMN1; SMN2
SCHEMBL6434742 0.66 LMNA (0.54) SMN1; SMN2MEN1KMT2ALMNAHPGD

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