SCHEMBL13769034

SCHEMBL13769034

O=C(O)N[C@H]1CCN(CC[C@@H]2CSC(c3cc4cc(Cl)cc(NC5CCOCC5)c4[nH]3)=N2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
SELP P16109 1/20 0.33
TYRO3 Q06418 1/20 0.33
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CACNA1H O95180 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
P2RX7 Q99572 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL1277984 0.93 MAPK1 (0.35) MAPK1SELPTYRO3DRD2DRD3
SCHEMBL1277981 0.93 MAPK1 (0.35) MAPK1SELPTYRO3DRD2DRD3
SCHEMBL1278329 0.90 BTK (0.34) MAPK1SELPTYRO3DRD2DRD3
SCHEMBL1278328 0.90 BTK (0.34) MAPK1SELPTYRO3DRD2DRD3
SCHEMBL3416958 0.89 OPRM1 (0.32)
SCHEMBL3416955 0.89 OPRM1 (0.32)
SCHEMBL1277646 0.88 PDCD1 (0.33)
SCHEMBL1277645 0.88 PDCD1 (0.33)
SCHEMBL1278178 0.87 CSF1R (0.33)
SCHEMBL1278180 0.87 CSF1R (0.33)

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-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed