SCHEMBL989508

SCHEMBL989508

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.46
CHRM5 P08912 1/20 0.40
ACKR3 P25106 1/20 0.38
MLLT1 Q03111 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP4K4 O95819 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.90 NPC1 (0.45) GRM5ACKR3L3MBTL1NPC1TP53
SCHEMBL990862 0.90 NPC1 (0.45) GRM5ACKR3L3MBTL1NPC1TP53
SCHEMBL990906 0.89 GRM5 (0.46) GRM5
SCHEMBL4880266 0.82 GRM5 (0.53) GRM5CHRM5NPC1RAB9AKMT2A
SCHEMBL990045 0.81 GRM5 (0.54) GRM5
SCHEMBL990246 0.79 GRM5 (0.58) GRM5
SCHEMBL990781 0.79 ALDH1A1 (0.48) GRM5CHRM5L3MBTL1KMT2A
SCHEMBL990810 0.79 ALDH1A1 (0.48) GRM5CHRM5L3MBTL1KMT2A
SCHEMBL990768 0.78 GRM5 (0.47) GRM5CHRM5L3MBTL1
SCHEMBL990890 0.78 GRM5 (0.47) GRM5CHRM5L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed