SCHEMBL6948222

SCHEMBL6948222

C=CCn1c(NCCOCC)nc(N2CCc3ccccc3CC2)c(C#N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 9/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HIF1A Q16665 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KLK7 P49862 1/20 0.39
HTT P42858 5/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL6950993 0.88 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6949202 0.88 ALDH1A1 (0.37) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6950036 0.86 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6952663 0.85 ALDH1A1 (0.36) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6950841 0.85 ALDH1A1 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6954163 0.83 MAPT (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6947679 0.82 MAPT (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6949369 0.79 MEN1 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6951063 0.78 PDE4A (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6951049 0.78 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A

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