SCHEMBL9872948

SCHEMBL9872948

CC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 18/20 1.00
DRD2 P14416 17/20 0.80
ADRA2A P08913 2/20 0.78
DRD4 P21917 2/20 0.78
DRD5 P21918 2/20 0.78
HTR2A P28223 2/20 0.78

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
SCHEMBL8203039 0.81 DRD2 (1.00) DRD1DRD2DRD4
SCHEMBL22077139 0.80 DRD2 (0.69) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL20369209 0.78 DRD2 (0.77) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL14133772 0.78 DRD2 (0.91) DRD1DRD2DRD4
SCHEMBL11925297 0.78 DRD2 (0.75) DRD1DRD2DRD4
SCHEMBL22147037 0.77 DRD2 (0.65) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL14133020 0.76 DRD2 (0.88) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL20751643 0.76 DRD2 (0.67) DRD1DRD2ADRA2ADRD4DRD5
SCHEMBL14052668 0.76 DRD2 (0.91) DRD1DRD2DRD4
SCHEMBL20751654 0.76 DRD2 (0.69) DRD1DRD2ADRA2ADRD4DRD5

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-1991010661-A1 DERIVATIVES OF 5-AMINO-8-CHLORINE-DIBENZO[b,e][1,4]-DIAZEPINE AND A PHARMACEUTICAL PREPARATION FOR TREATMENT OF EPILEPSY AND EPILEPTIC STATUS BASED THEREON NOVOKUZNETSKY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INSTITUT (SU) 1991-07-25 WO disclosed