SCHEMBL6948613

SCHEMBL6948613

N#Cc1c(OCCO)nc(CCOC2CCCCO2)nc1N1CCc2ccccc2CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
IDH1 O75874 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CXCR4 P61073 1/20 0.32
ADORA1 P30542 1/20 0.32
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TGFBR1 P36897 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL6950944 0.91 KDM4C (0.41) KDM4CIDH1L3MBTL1NPC1RAB9A
SCHEMBL6948526 0.90 KDM4C (0.40) KDM4CIDH1L3MBTL1NPC1RAB9A
SCHEMBL6949929 0.83 KDM4E (0.38) RAB9AADORA1ALDH1A1HPGDMAPK1
SCHEMBL6953594 0.82 PIK3CD (0.36) KDM4CIDH1L3MBTL1ALDH1A1HPGD
SCHEMBL6950695 0.80 KDM4C (0.38) KDM4CIDH1L3MBTL1NPC1RAB9A
SCHEMBL7399367 0.79 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9ATGFBR1
SCHEMBL6957443 0.78 KDM4E (0.36) RAB9AADORA1ALDH1A1HPGDMAPK1
SCHEMBL6953035 0.77 KDM4C (0.40) KDM4CIDH1L3MBTL1NPC1RAB9A
SCHEMBL6957600 0.77 KDM4C (0.39) KDM4CIDH1L3MBTL1NPC1RAB9A
SCHEMBL6950700 0.75 PIK3CD (0.38) L3MBTL1ALDH1A1HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074549-B1 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors HOFFMANN LA ROCHE (CH) 2003-11-19 EP disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed