SCHEMBL9699253

SCHEMBL9699253

COc1cccc2c1OCC(CN1CCCC1)N2N=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR1A P08908 7/20 0.39
ADRA1A P35348 6/20 0.39
ADRA1D P25100 6/20 0.39
ADRA1B P35368 5/20 0.39
HTR2C P28335 6/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 2/20 0.38
POLB P06746 1/20 0.37
CHRNA7 P36544 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL9701674 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9700405 0.91 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9701648 0.91 LMNA (0.41) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9699344 0.90 ADRA1A (0.42) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9699276 0.83 ADRA2A (0.35) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9699310 0.83 NOTUM (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9700351 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR1AADRA1A
SCHEMBL9701394 0.81 ADRA1A (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9699297 0.81 NOTUM (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9701613 0.80 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR1AADRA1A

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