SCHEMBL7964151

SCHEMBL7964151

CCN(CC)c1nc(C)nc2c1c([S+](C)[O-])nn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.43
CDK4 P11802 11/20 0.40
CCND1 P24385 11/20 0.40
CCNE2 O96020 9/20 0.40
CCNE1 P24864 9/20 0.40
CDK2 P24941 9/20 0.40
TDP1 Q9NUW8 1/20 0.36
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 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
SCHEMBL5611027 0.80 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7044978 0.80 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7968810 0.80 CDK4 (0.39) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7967906 0.79 CRHR1 (0.43) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7969102 0.76 CRHR1 (0.46) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7969100 0.74 CRHR1 (0.40) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5600433 0.73 CRHR1 (0.57) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5611280 0.72 CRHR1 (0.56) CRHR1TDP1
SCHEMBL5599666 0.72 CDK4 (0.54) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5600331 0.70 CDK4 (0.53) CRHR1CDK4CCND1CCNE2CCNE1

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