SCHEMBL17513952

SCHEMBL17513952

NC(=O)Oc1ccc(-c2noc([CH]CCc3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
FFAR1 O14842 6/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.40
HDAC4 P56524 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL17514012 0.83 FFAR1 (0.37) NPC1RAB9AL3MBTL1MAPTFFAR1
SCHEMBL17513888 0.83 ALOX5 (0.44) NPC1RAB9AL3MBTL1MAPTFFAR1
SCHEMBL17513901 0.80 GPR52 (0.40) NPC1RAB9AL3MBTL1MAPTCYP1A2
SCHEMBL18797878 0.79 AOC3 (0.38) NPC1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL17513880 0.77 ALOX5 (0.43) NPC1RAB9AL3MBTL1FFAR1SMN1; SMN2
SCHEMBL18797855 0.75 ALOX5 (0.39) L3MBTL1FFAR1TDP1KMT2ALMNA
SCHEMBL17513925 0.74 LMNA (0.48) NPC1RAB9AL3MBTL1FFAR1SMN1; SMN2
SCHEMBL17513904 0.74 GPR52 (0.43) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL17513997 0.73 GRM5 (0.41) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL17513938 0.73 CA12 (0.39) NPC1RAB9AL3MBTL1MAPTFFAR1

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 5 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-2017075535-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 WO 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