SCHEMBL22005280

SCHEMBL22005280

CCCN1CCCC2Cc3c(ccc4c3OCO4)C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 1.00
DRD1 P21728 3/20 0.61
HTR1A P08908 8/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
GRM5 P41594 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BLM P54132 1/20 0.46

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
SCHEMBL50393 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL50391 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL50392 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL10034501 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL50689 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL10034502 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL51683 1.00 DRD2 (1.00) DRD2DRD1HTR1AMEN1LMNA
Hydrochloric Acid SCHEMBL50839 0.99 DRD2 (0.98) DRD2DRD1HTR1AMEN1LMNA
SCHEMBL242083 0.91 DRD2 (0.83) DRD2DRD1HTR1A
SCHEMBL50824 0.91 DRD2 (0.83) DRD2DRD1HTR1A

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