SCHEMBL7676399

SCHEMBL7676399

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

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.64

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
SCHEMBL7680317 0.88 CRHR1 (0.69) CRHR1
SCHEMBL7678403 0.88 CRHR1 (0.67) CRHR1
SCHEMBL8042237 0.86 CRHR1 (0.66) CRHR1
SCHEMBL7678011 0.84 CRHR1 (0.81) CRHR1
SCHEMBL7676411 0.83 CRHR1 (0.54) CRHR1
SCHEMBL8047350 0.82 CRHR1 (0.70) CRHR1
SCHEMBL7680618 0.82 CRHR1 (0.59) CRHR1
SCHEMBL7687611 0.82 CRHR1 (0.59) CRHR1
SCHEMBL7687608 0.82 CRHR1 (0.59) CRHR1
SCHEMBL7676545 0.81 CRHR1 (0.68) 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 9 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
CN-1142817-A 1N-alkyl-N-arylpyrimidinamines and derivatives thereof DU PONT MERCK PHARMA (US) 1997-02-12 CN claimed
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
CN-1142817-A 1N-alkyl-N-arylpyrimidinamines and derivatives thereof DU PONT MERCK PHARMA (US) 1997-02-12 CN 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