SCHEMBL9541298

SCHEMBL9541298

CCCCOC1Cc2cccc(Cl)c2CCN1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CYP2D6 P10635 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 4/20 0.37
DRD3 P35462 3/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL9541303 0.71 ADRA2A (0.43) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL3886570 0.67 DRD2 (0.42) CYP2D6DRD2DRD3HTR1A
SCHEMBL26027881 0.66 ADRA2A (0.58) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL8083358 0.66 ADRA2A (1.00) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10871080 0.64 NPSR1 (1.00) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL10882588 0.64 ADRA2A (0.69) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL14945587 0.63 ADRA2A (0.79) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL6370118 0.63 ADRA2A (0.57) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL28906340 0.62 ADRA2A (0.53) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL16233584 0.61 ADRA2A (0.50) ADRA2AADRA2BADRA2CCYP2D6ADRA1D

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-1993004686-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 WO disclosed