SCHEMBL6952068

SCHEMBL6952068

COc1nc(C)nc(N2CCc3ccccc3CC2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 3/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.45
MAPK1 P28482 3/20 0.44
SQOR Q9Y6N5 2/20 0.43
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6957783 0.86 HRH4 (0.44) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6950038 0.85 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6951193 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6948352 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6947782 0.83 CXCR4 (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6956303 0.83 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6947498 0.83 CXCR4 (0.43) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6947571 0.83 KDM4E (0.40) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6953934 0.82 KDM4E (0.43) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6957568 0.82 KDM4E (0.51) ALDH1A1MEN1KMT2AMAPTHSD17B10

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