SCHEMBL9862396

SCHEMBL9862396

CCCNC1CCc2c(Cl)ccc(OC)c2C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.63
DRD3 P35462 10/20 0.63
DRD4 P21917 5/20 0.63
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR5A P47898 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1D P28221 3/20 0.45
HTR1B P28222 2/20 0.45

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
Hydrochloric Acid SCHEMBL9424993 0.99 DRD2 (0.62) DRD2DRD3DRD4MEN1CYP1A2
SCHEMBL9862345 0.84 DRD2 (0.63) DRD2DRD3DRD4MEN1CYP1A2
Hydrochloric Acid SCHEMBL9063936 0.83 DRD2 (0.62) DRD2DRD3DRD4MEN1CYP1A2
SCHEMBL9496955 0.83 DRD2 (0.58) DRD2DRD3DRD4MEN1CYP1A2
SCHEMBL7544212 0.79 DRD2 (0.69) DRD2DRD3DRD4CYP1A2
SCHEMBL7548060 0.79 DRD2 (0.69) DRD2DRD3DRD4CYP1A2
SCHEMBL2025137 0.78 DRD2 (0.82) DRD2DRD3DRD4CYP1A2HTR1D
SCHEMBL2025960 0.78 DRD2 (0.82) DRD2DRD3DRD4CYP1A2HTR1D
SCHEMBL2025138 0.78 DRD2 (0.82) DRD2DRD3DRD4CYP1A2HTR1D
Hydrochloric Acid SCHEMBL7541435 0.77 DRD2 (0.68) DRD2DRD3DRD4CYP1A2

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-1991009006-A1 NEW BICYCLIC AMINO-SUBSTITUTED COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1991-06-27 WO disclosed