SCHEMBL18575583

SCHEMBL18575583

Cc1cccc2c1nnn2CC(CO)NCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.42
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR139 Q6DWJ6 2/20 0.34
KMT2A Q03164 2/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL4218372 0.79 NPSR1 (0.51) GRM2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL4233106 0.76 GRM2 (0.49) GRM2NPSR1NPC1
SCHEMBL29901097 0.72 GRM2 (0.51) GRM2NPC1
SCHEMBL17828279 0.70 GRM2 (0.67) GRM2NPC1
SCHEMBL974069 0.69 GRM2 (0.40) GRM2NPSR1NPC1SMN1; SMN2GPR139
SCHEMBL29356302 0.69 GRM2 (0.47) GRM2NPC1
SCHEMBL4083654 0.69 GRM2 (0.47) GRM2NPC1
SCHEMBL19911462 0.69 GRM2 (0.47) GRM2NPC1GPR139
SCHEMBL17291776 0.69 GRM2 (0.43) GRM2NPSR1NPC1SMN1; SMN2
SCHEMBL19911457 0.68 GRM2 (0.69) GRM2NPC1KMT2AALDH1A1

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-2219687-B1 PRION DEACTIVATING COMPOSITION AND METHODS OF USING SAME AMERICAN STERILIZER CO (US) 2017-03-08 EP claimed