SCHEMBL25049533

SCHEMBL25049533

CCCN1CCCC(CCO)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
NFKB1 P19838 1/20 0.42
PRCP P42785 1/20 0.42
EBP Q15125 1/20 0.42
KDM2B Q8NHM5 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
SCHEMBL9340318 0.90 BCHE (0.47) SIGMAR1
SCHEMBL25531092 0.89 GBA1 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL26632276 0.87 DRD2 (0.49) DRD3DRD2DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL30213326 0.85 DRD2 (0.47) DRD3DRD2DRD4DRD1DRD5
SCHEMBL4377471 0.85 HSD11B1 (0.39) DRD3DRD2
SCHEMBL28250446 0.85 HSD11B1 (0.39) DRD3DRD2
SCHEMBL5066037 0.85 DRD3 (0.47) DRD3DRD2DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL30330348 0.82 CYP1A2 (0.48) DRD3DRD2DRD4DRD1DRD5
SCHEMBL10646171 0.82 LSS (0.48) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7655261 0.82 ACHE (0.35)

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
WO-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 WO disclosed