Benzene

Benzene

SCHEMBL28198364

c1ccc(C2CCCNC2)cc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
KCNH2 Q12809 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR3A P46098 1/20 0.52
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51
JAK3 P52333 1/20 0.50
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL383031 1.00 SLC18A3 (0.59) SLC18A3SIGMAR1DRD2DRD3KCNH2
SCHEMBL4280 1.00 SLC18A3 (0.59) SLC18A3SIGMAR1DRD2DRD3KCNH2
SCHEMBL381572 1.00 SLC18A3 (0.59) SLC18A3SIGMAR1DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL1765272 0.98 DRD2 (0.57) SLC18A3SIGMAR1DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL31233227 0.98 DRD2 (0.57) SLC18A3SIGMAR1DRD2DRD3KCNH2
SCHEMBL3701789 0.94 SLC18A3 (0.57) SLC18A3SIGMAR1DRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL3689510 0.92 SLC18A3 (0.55) SLC18A3SIGMAR1DRD2DRD3KCNH2
SCHEMBL28296875 0.91 DRD2 (0.51) SLC18A3SIGMAR1DRD2DRD3KCNH2
Pyridine SCHEMBL11331327 0.89 DRD2 (0.50) SLC18A3SIGMAR1DRD2DRD3KCNH2
SCHEMBL495697 0.89 SLC18A3 (0.75) SLC18A3SIGMAR1HTR3AJAK3

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
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed