SCHEMBL8329875

SCHEMBL8329875

Cn1c(NCC2CN(Cc3ccc(F)cc3)CCO2)c(C#N)/c(=N/C(=O)Nc2ccccc2)n(C)c1=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.43
SLC6A3 Q01959 1/20 0.39
DRD3 P35462 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL8329877 1.00 DRD4 (0.43) DRD4SLC6A3DRD3LMNACYP1A2
SCHEMBL8328089 0.94 DRD4 (0.41) DRD4SLC6A3DRD3LMNACYP1A2
SCHEMBL8328088 0.94 DRD4 (0.41) DRD4SLC6A3DRD3LMNACYP1A2
SCHEMBL8327400 0.91 DRD4 (0.41) DRD4DRD3LMNACYP1A2CYP3A4
SCHEMBL8327547 0.88 DRD4 (0.40) DRD4SLC6A3DRD3LMNACYP1A2
SCHEMBL8327545 0.88 DRD4 (0.40) DRD4SLC6A3DRD3LMNACYP1A2
SCHEMBL8329839 0.88 DRD4 (0.41) DRD4CYP1A2CYP3A4CYP2C9EPHX2
SCHEMBL8327781 0.85 DRD4 (0.43) DRD4DRD3LMNACYP1A2CYP3A4
SCHEMBL8327784 0.85 DRD4 (0.43) DRD4DRD3LMNACYP1A2CYP3A4
SCHEMBL8322809 0.85 DRD4 (0.40) DRD4DRD3LMNACYP1A2CYP3A4

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
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed