SCHEMBL7969100

SCHEMBL7969100

CCCCC(C)Nc1nc(C)nc2c1c([S+](C)[O-])nn2-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.40
CDK4 P11802 7/20 0.37
CCND1 P24385 7/20 0.37
CCNE2 O96020 4/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7969102 0.84 CRHR1 (0.46) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7446420 0.83 CDK4 (0.49) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7427284 0.81 GLP1R (0.41) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7437075 0.75 CDK4 (0.51) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7964151 0.74 CRHR1 (0.43) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7437929 0.72 CDK4 (0.47) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5707841 0.70 CDK4 (0.46) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7437551 0.66 CRHR1 (0.66) CRHR1
SCHEMBL8122461 0.65 CDK4 (0.51) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7968810 0.65 CDK4 (0.39) 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