SCHEMBL7687812

SCHEMBL7687812

COc1cc(OC)c(N(C)c2nc(C)cc(C)n2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.58
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7680685 0.79 CRHR1 (0.52) CRHR1LMNAMAPTHTT
SCHEMBL7684475 0.79 CRHR1 (0.84) CRHR1
SCHEMBL7686975 0.74 CRHR1 (1.00) CRHR1
SCHEMBL7231586 0.68 ALDH1A1 (0.56) CRHR1LMNAMAPT
SCHEMBL7687620 0.67 CRHR1 (0.68) CRHR1
SCHEMBL7684615 0.66 CRHR1 (0.75) CRHR1
SCHEMBL2235682 0.64 MEN1 (0.48) CRHR1LMNAMAPT
SCHEMBL20521940 0.64 KMT2A (0.44) CRHR1LMNAMAPT
SCHEMBL15218746 0.64 PDE3B (0.50) CRHR1LMNAMAPTHTT
SCHEMBL20867656 0.63 MAPT (0.50) CRHR1LMNAMAPT

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