SCHEMBL7315229

SCHEMBL7315229

CCOC(=O)c1ncn2c1nc(N1CCOCC1)c1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.69
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 3/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MTOR P42345 5/20 0.47
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
PIK3CA P42336 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9404242 0.87 RXFP1 (0.53) RXFP1MAPTNPSR1PKMTP53
SCHEMBL9404501 0.85 RXFP1 (0.53) RXFP1MAPTNPSR1PKMTP53
SCHEMBL7320310 0.85 RXFP1 (0.53) RXFP1MAPTNPSR1PKMTP53
SCHEMBL9404284 0.83 RXFP1 (0.49) RXFP1MAPTTP53POLBKDM4E
SCHEMBL9404296 0.77 HTT (0.44) RXFP1MAPTPOLBKDM4EALDH1A1
SCHEMBL18394497 0.74 ALDH1A1 (0.58) RXFP1MAPTNPSR1POLBKDM4E
SCHEMBL9404376 0.72 HTT (0.58) RXFP1MAPTNPSR1TP53POLB
SCHEMBL8712545 0.71 RXFP1 (0.54) RXFP1MAPTNPSR1PKMTP53
SCHEMBL18394513 0.70 PTGS1 (0.56) RXFP1MAPTKDM4EALDH1A1MTOR
SCHEMBL14322737 0.70 RXFP1 (0.52) RXFP1TP53POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP claimed
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP disclosed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
US-5276028-A Psychological disorders, anticonvulsants, anxiolytic or hypnotics and cognition activators NORDISK A/S (DK) 1994-01-04 US disclosed
EP-0535104-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1993-04-07 EP disclosed
WO-1992000298-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-09 WO disclosed