SCHEMBL7480436

SCHEMBL7480436

CCCCC(CC)Nc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
CRHR1 P34998 4/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NR4A2 P43354 1/20 0.32
GSR P00390 1/20 0.31
TXNRD1 Q16881 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5843301 0.90 HCAR3 (0.41) HCAR3CRHR1MAPTPOLBTDP1
SCHEMBL7479132 0.88 CRHR1 (0.36) HCAR3CRHR1MAPTPOLBTDP1
SCHEMBL5843957 0.85 MAPT (0.46) HCAR3CRHR1MAPTPOLBTDP1
SCHEMBL5845050 0.84 CRHR1 (0.37) HCAR3CRHR1MAPTTDP1L3MBTL1
SCHEMBL7478036 0.79 CRHR1 (0.37) CRHR1NR4A2
Hydrochloric Acid SCHEMBL7624850 0.78 LMNA (0.34) HCAR3CRHR1MAPTTDP1L3MBTL1
SCHEMBL23530034 0.78 NR4A2 (0.43) HCAR3MAPTPOLBTDP1L3MBTL1
SCHEMBL7222310 0.78 LMNA (0.33) HCAR3MAPTPOLBTDP1L3MBTL1
SCHEMBL7224417 0.78 LMNA (0.33) HCAR3MAPTPOLBTDP1L3MBTL1
SCHEMBL7480289 0.78 NR4A2 (0.45) HCAR3MAPTPOLBTDP1L3MBTL1

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-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
CN-1230184-A Arylamino fused pyridines and pyrimidines DU PONT MERCK PHARMA (US) 1999-09-29 CN 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