SCHEMBL9700405

SCHEMBL9700405

COc1cccc2c1OCC(CN1CCN(C)CC1)N2N=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2C P28335 7/20 0.41
DRD2 P14416 6/20 0.41
HTR2A P28223 3/20 0.41
DRD3 P35462 2/20 0.41
ADRA1A P35348 4/20 0.40
HTR1A P08908 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
DRD4 P21917 1/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9701674 0.91 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2CDRD2
SCHEMBL9699253 0.91 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2CDRD2
SCHEMBL9699344 0.88 ADRA1A (0.42) ADRA2AADRA2BADRA2CHTR2CDRD2
SCHEMBL9701449 0.85 DRD2 (0.41) HTR2CDRD2HTR2ADRD3HTR1A
SCHEMBL9701648 0.85 LMNA (0.41) ADRA2AADRA2BADRA2CHTR2CDRD2
SCHEMBL9699337 0.83 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2CDRD2
SCHEMBL9699276 0.82 ADRA2A (0.35) ADRA2AADRA2BADRA2CHTR2CHTR2A
SCHEMBL9701394 0.80 ADRA1A (0.36) ADRA2AADRA2BADRA2CDRD2ADRA1A
SCHEMBL9699310 0.75 NOTUM (0.38) ADRA2AADRA2BADRA2CDRD2ADRA1A
SCHEMBL9699297 0.75 NOTUM (0.38) ADRA2AADRA2BADRA2CDRD2ADRA1A

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