SCHEMBL990862

SCHEMBL990862

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1cnc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 12/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 1/20 0.38
CNR2 P34972 1/20 0.37
MAPK14 Q16539 1/20 0.36
MEN1 O00255 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
SCHEMBL992650 1.00 NPC1 (0.45) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL989508 0.90 GRM5 (0.46) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL990906 0.90 GRM5 (0.46) GRM5
SCHEMBL3376528 0.85 GRM5 (0.44) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL3378683 0.85 GRM5 (0.44) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL990757 0.84 GRM5 (0.46) NPC1RAB9AKMT2AGRM5L3MBTL1
SCHEMBL990736 0.84 GRM5 (0.46) NPC1RAB9AKMT2AGRM5L3MBTL1
SCHEMBL990026 0.84 GRM5 (0.43) NPC1RAB9AKMT2AGRM5L3MBTL1
SCHEMBL990270 0.84 GRM5 (0.43) NPC1RAB9AKMT2AGRM5L3MBTL1
SCHEMBL990125 0.83 GRM5 (0.57) NPC1RAB9ASMN1; SMN2GRM5L3MBTL1

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
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed