SCHEMBL7965103

SCHEMBL7965103

CCCCC(CN)c1nc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.55
TDP1 Q9NUW8 1/20 0.39
FPR3 P25089 2/20 0.37
TSPO P30536 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37

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
SCHEMBL7628534 0.83 CRHR1 (0.43) CRHR1
SCHEMBL5599495 0.83 CRHR1 (0.50) CRHR1TDP1
SCHEMBL7916255 0.81 CRHR1 (0.54) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7964095 0.79 CDK4 (0.47) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5845879 0.78 CRHR1 (0.42) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL8362039 0.73 CRHR1 (0.45) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7437551 0.71 CRHR1 (0.66) CRHR1
SCHEMBL7965099 0.71 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5601000 0.70 CDK4 (0.53) CRHR1TDP1
SCHEMBL5843325 0.70 CRHR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 US disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed