SCHEMBL7687384

SCHEMBL7687384

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 1.00
MAPT P10636 1/20 0.43
PIK3CB P42338 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL7680790 0.94 CRHR1 (0.88) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL9110881 0.92 CRHR1 (0.85) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL7680357 0.84 CRHR1 (0.72) CRHR1MAPTPIK3CBPIK3CAMTOR
SCHEMBL7687498 0.79 CRHR1 (0.82) CRHR1
SCHEMBL7686975 0.76 CRHR1 (1.00) CRHR1
SCHEMBL7678150 0.76 CRHR1 (0.61) CRHR1MAPTPIK3CA
SCHEMBL7680488 0.73 CRHR1 (0.72) CRHR1
SCHEMBL7684475 0.68 CRHR1 (0.84) CRHR1
SCHEMBL6775265 0.67 CRHR1 (0.51) CRHR1MAPTPIK3CBPIK3CA
SCHEMBL8208007 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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