SCHEMBL20319865

SCHEMBL20319865

O=C(O)c1cnc(N2CCOCC2)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 4/20 0.53
▸ STK3 Q13188 4/20 0.53
▸ LRRK2 Q5S007 3/20 0.53
▸ CNR2 P34972 2/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ KMO O15229 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ EGLN1 Q9GZT9 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2703788 0.88 CNR2 (0.52) STK4STK3LRRK2CNR2NPC1
SCHEMBL20319886 0.88 POLB (0.54) STK4STK3LRRK2POLBKMO
SCHEMBL20319862 0.86 STK4 (0.53) STK4STK3LRRK2CNR2POLB
SCHEMBL3957333 0.78 POLB (0.59) POLBKMOPIK3CAEGLN1MAPT
SCHEMBL2704464 0.75 CNR1 (0.54) CNR2MAP4K4NPSR1EGLN1CNR1
SCHEMBL19904255 0.73 ABL1 (0.48) POLBPIK3CA
SCHEMBL17478716 0.72 PRKAB2 (0.50) LRRK2CNR2POLBKMOPIK3CA
SCHEMBL31301757 0.71 LRRK2 (0.58) STK4STK3LRRK2
SCHEMBL4252921 0.71 SLC2A1 (0.67) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL16919646 0.70 PIK3CA (0.60) PIK3CAEGLN1

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-2018116285-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-06-28 — — WO disclosed
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