SCHEMBL9699276

SCHEMBL9699276

COc1cccc2c1OCC(CN)N2N=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1D P25100 5/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 5/20 0.33
HTR1A P08908 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL9701394 0.85 ADRA1A (0.36) ADRA2AADRA2BADRA2CKDM4EADRA1D
SCHEMBL9701674 0.83 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9699253 0.83 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9700158 0.82 HTR2A (0.38) ADRA2AADRA2BADRA2CKDM4EHTR2A
SCHEMBL9700405 0.82 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9699344 0.81 ADRA1A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9701648 0.78 LMNA (0.41) ADRA2AADRA2BADRA2CHTR2CHTR2B
SCHEMBL9701645 0.77 HTR2C (0.35) HTR2AHTR2CHTR2BHTR7
SCHEMBL9701406 0.74 SMN1; SMN2 (0.37) ADRA2AADRA1AHTR1A
SCHEMBL9700327 0.71 ADRA1D (0.38) ADRA2AADRA2BADRA2CKDM4EHTR2A

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