SCHEMBL6428141

SCHEMBL6428141

CCCCN(CC)c1nc(C)nc2c1C(=O)CN2c1c(C)cc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.54
FPR3 P25089 2/20 0.53
TSPO P30536 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL5845362 0.81 CRHR1 (0.56) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844050 0.77 CRHR1 (0.55) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL7436165 0.77 CRHR1 (0.53) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600368 0.77 CRHR1 (0.54) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5599808 0.77 CRHR1 (0.53) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6290354 0.76 CRHR1 (0.52) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5845706 0.74 CRHR1 (0.56) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600404 0.74 CRHR1 (0.53) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5599412 0.73 CRHR1 (0.51) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844703 0.72 CRHR1 (0.54) CRHR1FPR3TSPOTMEM97TDP1

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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed