SCHEMBL28860435

SCHEMBL28860435

BrOc1cccnc1C1CNCCO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28029236 0.87 ADRA2C (0.52) CCNT1CDK9ADRB2HTR1ASLC6A2
SCHEMBL28666083 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL27816652 0.81 DRD2 (0.42) DRD2DRD3HTR1A
SCHEMBL28105993 0.81 DRD2 (0.42) DRD2DRD3
SCHEMBL28526950 0.78 SSTR4 (0.38) DRD2DRD3ADRB2HTR1ASLC6A2
SCHEMBL28257239 0.77 DRD2 (0.43) DRD2DRD3HTR1AHTR2A
SCHEMBL1665692 0.77 DRD2 (0.40) DRD2DRD3HTR1A
SCHEMBL8152385 0.76 HTR7 (0.42) DRD2DRD3HTR2A
SCHEMBL28010292 0.76 DRD2 (0.42) DRD2DRD3SLC6A3
SCHEMBL28030867 0.75 DRD2 (0.45) DRD2DRD3HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104968654-B Substituted 2-aminopyridine albuminoid kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) 2018-06-01 CN disclosed