SCHEMBL8047863

SCHEMBL8047863

CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)OC)cc1I

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.65
KMT2A Q03164 1/20 0.41
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL7684537 0.91 CRHR1 (0.79) CRHR1KMT2A
SCHEMBL7687345 0.84 CRHR1 (0.63) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7687604 0.84 CRHR1 (0.53) CRHR1
SCHEMBL7678178 0.83 CRHR1 (0.57) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL8047865 0.81 CRHR1 (0.55) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL9045095 0.81 CRHR1 (0.59) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7682642 0.80 CRHR1 (0.62) CRHR1KMT2ACRHBPCRHR2NPSR1
SCHEMBL7678394 0.79 CRHR1 (0.63) CRHR1
SCHEMBL7684973 0.79 CRHR1 (1.00) CRHR1
SCHEMBL7680397 0.75 CRHR1 (0.56) 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-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