SCHEMBL17513997

SCHEMBL17513997

NC(=O)c1cccnc1-c1noc([CH]CCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
RPS6KB1 P23443 1/20 0.38
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GPR52 Q9Y2T5 3/20 0.36
PARP1 P09874 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ROCK2 O75116 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL17513876 0.84 GRM5 (0.39) GRM5NPC1RAB9ARPS6KB1PARP1
SCHEMBL17513904 0.81 GPR52 (0.43) NPC1RAB9ASMN1; SMN2GPR52PARP1
SCHEMBL17513938 0.80 CA12 (0.39) NPC1RAB9AGPR52PARP1ALDH1A1
SCHEMBL17514002 0.80 RAB9A (0.40) GRM5NPC1RAB9AFAAHSMN1; SMN2
SCHEMBL17513922 0.77 NPC1 (0.38) NPC1RAB9ADAGLAGPR52KDM4E
SCHEMBL17513966 0.76 GRM5 (0.43) GRM5NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL17513894 0.76 ALOX5 (0.36) NPC1RAB9AFAAHGPR52PARP1
SCHEMBL17513952 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL17514012 0.72 FFAR1 (0.37) NPC1RAB9ASMN1; SMN2GPR52ALDH1A1
SCHEMBL17513978 0.70 ATM (0.41) GRM5NPC1RAB9ARPS6KB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197482-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-08-02 EP disclosed
EP-3182992-A1 METHODS OF TREATING MILD BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-06-28 EP disclosed
WO-2016048488-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed
WO-2016028826-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed