SCHEMBL7680790

SCHEMBL7680790

CCN(c1nc(C)nc(N2CCOCC2)n1)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.88
MAPT P10636 3/20 0.46
PIK3CB P42338 2/20 0.45
PIK3CA P42336 3/20 0.44
MTOR P42345 1/20 0.44
PIK3CD O00329 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7687384 0.94 CRHR1 (1.00) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL9110881 0.86 CRHR1 (0.85) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL7680357 0.79 CRHR1 (0.72) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL7678150 0.74 CRHR1 (0.61) CRHR1MAPTPIK3CAMEN1KMT2A
SCHEMBL7684475 0.74 CRHR1 (0.84) CRHR1
SCHEMBL7687498 0.71 CRHR1 (0.82) CRHR1
SCHEMBL6775265 0.70 CRHR1 (0.51) CRHR1MAPTPIK3CBPIK3CAPIK3CD
SCHEMBL7680488 0.70 CRHR1 (0.72) CRHR1
SCHEMBL7680397 0.70 CRHR1 (0.56) CRHR1
SCHEMBL7686975 0.67 CRHR1 (1.00) CRHR1

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-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed