SCHEMBL3795155

SCHEMBL3795155

Cc1cc(C#N)ccc1Oc1cccc2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
PNMT P11086 2/20 0.46
CD44 P16070 1/20 0.40
ESRRA P11474 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
LRRK2 Q5S007 1/20 0.36
TBXA2R P21731 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
P2RY1 P47900 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL3794507 0.79 RXRA (0.41) CD44MRGPRX4P2RY1
SCHEMBL2857359 0.73 HTR6 (0.52) DRD2DRD3PNMTCD44MRGPRX4
Hydrochloric Acid SCHEMBL3798819 0.72 HTR6 (0.51) DRD2DRD3PNMTCD44MRGPRX4
SCHEMBL8319663 0.71 CD44 (0.53) PNMTCD44P2RY1HTR1A
SCHEMBL16518138 0.71 PRCP (0.50) DRD2DRD3PNMTCD274
SCHEMBL31233660 0.71 PNMT (0.56) DRD2DRD3PNMTCD44CD274
SCHEMBL2358135 0.71 PNMT (0.56) DRD2DRD3PNMTCD44CD274
SCHEMBL7645609 0.70 PNMT (0.53) DRD2DRD3PNMTCD44
Hydrochloric Acid SCHEMBL33527957 0.70 PNMT (0.55) DRD2DRD3PNMTCD44CD274
Hydrochloric Acid SCHEMBL1124611 0.70 PNMT (0.55) DRD2DRD3PNMTCD44CD274

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-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO claimed