SCHEMBL8044455

SCHEMBL8044455

CCN(c1nc(C)cc(C)n1)c1ccc(OC(C)C)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.76

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
SCHEMBL7696377 0.84 CRHR1 (0.54) CRHR1
SCHEMBL7678011 0.80 CRHR1 (0.81) CRHR1
SCHEMBL7680552 0.76 CRHR1 (0.67) CRHR1
SCHEMBL7682363 0.75 CRHR1 (0.65) CRHR1
SCHEMBL9047025 0.75 CRHR1 (0.65) CRHR1
SCHEMBL7684464 0.74 CRHR1 (0.64) CRHR1
SCHEMBL7684615 0.73 CRHR1 (0.75) CRHR1
SCHEMBL7687483 0.73 CRHR1 (0.62) CRHR1
SCHEMBL7684710 0.73 CRHR1 (0.62) CRHR1
SCHEMBL7684608 0.72 CRHR1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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