SCHEMBL8706202

SCHEMBL8706202

O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.87
DRD2 P14416 7/20 0.87
KMT2A Q03164 3/20 0.77
SIGMAR1 Q99720 3/20 0.77
SLC6A12 P48065 3/20 0.71
SLC6A13 Q9NSD5 2/20 0.71
HTR2A P28223 1/20 0.67
TMEM97 Q5BJF2 3/20 0.67
MCHR1 Q99705 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
MEN1 O00255 1/20 0.66

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
SCHEMBL8709168 0.93 DRD2 (1.00) DRD4DRD2KMT2ASIGMAR1HTR2A
SCHEMBL7218186 0.89 DRD4 (0.86) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL694949 0.88 SIGMAR1 (0.82) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL31736417 0.87 MCHR1 (0.77) DRD4KMT2ASIGMAR1SLC6A12SLC6A13
SCHEMBL7218037 0.87 SIGMAR1 (1.00) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL27448907 0.87 KMT2A (1.00) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL29817958 0.84 PRKAA2 (0.67) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL61848 0.83 TMEM97 (0.83) DRD4DRD2KMT2ASIGMAR1SLC6A12
SCHEMBL17946338 0.83 KMT2A (0.80) DRD4KMT2ASIGMAR1SLC6A12SLC6A13
SCHEMBL2388851 0.83 KMT2A (0.74) DRD4DRD2KMT2ASIGMAR1SLC6A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998037064-A1 BENZAMIDES HAVING DOPAMINE D4 RECEPTOR AFFINITY HOECHST MARION ROUSSEL, INC. (US) 1998-08-27 WO claimed
WO-1998037064-A1 BENZAMIDES HAVING DOPAMINE D4 RECEPTOR AFFINITY HOECHST MARION ROUSSEL, INC. (US) 1998-08-27 WO disclosed