SCHEMBL9701449

SCHEMBL9701449

CN1CCN(CC2COc3c(Cl)cccc3N2N=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
DRD3 P35462 5/20 0.41
NOTUM Q6P988 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2C P28335 1/20 0.38
BCL2A1 Q16548 2/20 0.36
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL9699297 0.89 NOTUM (0.38) DRD2NOTUMDRD4
SCHEMBL9699310 0.89 NOTUM (0.38) DRD2NOTUMDRD4
SCHEMBL9700270 0.86 CYP2A13 (0.37) DRD2DRD3NOTUMDRD4
SCHEMBL9700405 0.85 ADRA2A (0.43) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9728710 0.83 DRD2 (0.40) DRD2DRD3NOTUMHTR1AHTR2A
SCHEMBL9700406 0.82 ADRB1 (0.38) DRD2DRD3NOTUMHTR1AHTR2A
SCHEMBL9700309 0.79 NOTUM (0.38) NOTUMHTR2AHTR2CHTR6
SCHEMBL9699339 0.78 NOTUM (0.39) DRD2DRD3NOTUM
SCHEMBL9699253 0.76 ADRA2A (0.42) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9699344 0.73 ADRA1A (0.42) DRD2DRD3HTR1AHTR2AHTR2C

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