SCHEMBL22005137

SCHEMBL22005137

COc1ccc2c(c1OC)CC1CCCC(=N)C1C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
DRD1 P21728 7/20 0.39
DRD2 P14416 6/20 0.39
DRD3 P35462 4/20 0.39
F3 P13726 3/20 0.39
DRD5 P21918 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL51099 0.72 HTR1A (0.58) DRD1DRD2DRD3F3DRD5
SCHEMBL51308 0.72 HTR1A (0.58) DRD1DRD2DRD3F3DRD5
SCHEMBL21255278 0.72 HTR1A (0.58) DRD1DRD2DRD3F3DRD5
SCHEMBL51178 0.72 HTR1A (0.58) DRD1DRD2DRD3F3DRD5
SCHEMBL51164 0.72 HTR1A (0.58) DRD1DRD2DRD3F3DRD5
SCHEMBL21255665 0.71 ACHE (0.39) PARP1DRD1DRD2DRD3F3
Hydrochloric Acid SCHEMBL50121 0.71 HTR1A (0.56) DRD1DRD2DRD3F3DRD5
SCHEMBL51300 0.71 DRD2 (0.56) DRD1DRD2DRD3F3DRD5
Hydrochloric Acid SCHEMBL50938 0.71 HTR1A (0.56) DRD1DRD2DRD3F3DRD5
Hydrochloric Acid SCHEMBL253095 0.71 HTR1A (0.56) DRD1DRD2DRD3F3DRD5

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
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed