SCHEMBL7961654

SCHEMBL7961654

Cc1cc(C)c(-n2nc(C)c3c(O)nc(C)nc32)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.54
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8122423 0.83 CRHR1 (0.55) CRHR1CDK4CCND1TDP1KDM4E
SCHEMBL7965430 0.83 CDK4 (0.62) CRHR1CDK4CCND1
SCHEMBL7964689 0.79 CDK4 (0.56) CRHR1CDK4CCND1HPGD
SCHEMBL7937098 0.74 CRHR1 (0.46) CRHR1CDK4CCND1KDM4EALDH1A1
SCHEMBL7928892 0.73 KDM4E (0.49) CRHR1CDK4CCND1TDP1KDM4E
SCHEMBL7360292 0.73 CRHR1 (0.70) CRHR1
SCHEMBL5599759 0.72 CRHR1 (0.87) CRHR1TDP1
Hydrochloric Acid SCHEMBL7953091 0.72 CRHR1 (0.63) CRHR1
SCHEMBL7354421 0.72 CRHR1 (0.54) CRHR1
Hydrochloric Acid SCHEMBL8127656 0.72 CRHR1 (0.69) 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 3 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
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed