SCHEMBL7967906

SCHEMBL7967906

CCN(CC)c1nc(C)nc2c1c(S(C)(=O)=O)nn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
CDK4 P11802 15/20 0.43
CCND1 P24385 15/20 0.43
CCNE2 O96020 11/20 0.43
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39

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
SCHEMBL5611280 0.92 CRHR1 (0.56) CRHR1
SCHEMBL7968457 0.86 CRHR1 (0.48) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL9018497 0.83 CRHR1 (0.45) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5611027 0.81 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7044978 0.81 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7961772 0.81 TDP1 (0.40) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7965770 0.81 CDK4 (0.40) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7964151 0.79 CRHR1 (0.43) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7427284 0.75 GLP1R (0.41) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5600433 0.74 CRHR1 (0.57) 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 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
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP disclosed