SCHEMBL9700355

SCHEMBL9700355

O=NN1CC(CN2CCCCC2)Oc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
SCN1A P35498 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
ABCB1 P08183 5/20 0.43
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 2/20 0.41
LMNA P02545 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
SCHEMBL9700419 0.99 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9700016 0.96 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9700502 0.89 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9699307 0.88 ADRA2C (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9700515 0.87 HRH3 (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9699274 0.87 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9701405 0.79 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9701639 0.79 HTR1A (0.37) ADRA2AADRA1AHTR1A
SCHEMBL9153909 0.79 THRB (0.39) ADRA2AADRA1AHTR1A
SCHEMBL9701550 0.77 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A

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