SCHEMBL7478036

SCHEMBL7478036

CCCCC(CC)Nc1cc(C)nc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
NR4A2 P43354 1/20 0.35
KCNH2 Q12809 5/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL7472507 0.89 CRHR1 (0.45) CRHR1NR4A2
SCHEMBL7478626 0.86 CRHR1 (0.39) CRHR1NR4A2KCNH2TLR8
SCHEMBL7480436 0.79 HCAR3 (0.34) CRHR1NR4A2
SCHEMBL7481941 0.75 CRHR1 (0.44) CRHR1KCNH2TLR8TLR7
SCHEMBL7217425 0.75 NCF1 (0.33) CRHR1
SCHEMBL7217428 0.75 NCF1 (0.33) CRHR1
SCHEMBL23547380 0.75 NR4A2 (0.49) NR4A2
SCHEMBL7472512 0.74 NR4A2 (0.50) CRHR1NR4A2TLR8
SCHEMBL7478040 0.73 NR4A2 (0.49) NR4A2TLR8
SCHEMBL6794273 0.71 POLB (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
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed