SCHEMBL28507283

SCHEMBL28507283

O=c1ccc(CN2CCCC2)c2ccc(OS(=O)(=O)C(F)(F)F)cn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.39
▸ DRD1 P21728 5/20 0.39
▸ DRD4 P21917 5/20 0.39
▸ DRD5 P21918 5/20 0.39
▸ DRD3 P35462 5/20 0.39
▸ MAOA P21397 3/20 0.37
▸ HTR6 P50406 3/20 0.33
▸ SETD7 Q8WTS6 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28503558 0.81 KCNH2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21580816 0.76 PDE3B (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1888143 0.71 KMT2A (0.53) KDM4E
SCHEMBL4265852 0.66 NR1H2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1428089 0.64 HRH3 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3654090 0.63 DRD2 (0.52) DRD2DRD3HRH3
SCHEMBL28450181 0.62 SMN1; SMN2 (0.57) HRH3KDM4E
SCHEMBL6139524 0.62 LMNA (0.58) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1427424 0.62 POLB (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL576035 0.61 CA2 (0.50) DRD2DRD1DRD4DRD5DRD3

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-112204037-A Novel oxoquinolizine compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-01-08 — — CN disclosed
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