SCHEMBL7961465

SCHEMBL7961465

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2nc(C)nc(N(CCCO)Cc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.48
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
GABRP O00591 14/20 0.43
GABRD O14764 14/20 0.43
GABRA1 P14867 14/20 0.43
GABRB1 P18505 14/20 0.43
GABRG2 P18507 14/20 0.43
GABRB3 P28472 14/20 0.43
GABRA5 P31644 14/20 0.43
GABRA3 P34903 14/20 0.43
GABRA2 P47869 14/20 0.43
GABRB2 P47870 14/20 0.43
GABRA4 P48169 14/20 0.43
GABRE P78334 14/20 0.43
GABRA6 Q16445 14/20 0.43
GABRG1 Q8N1C3 14/20 0.43

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
SCHEMBL7965698 0.94 CDK4 (0.47) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7963257 0.91 CDK4 (0.53) CRHR1CDK4CCND1CCNE2CCNE1
Acetic Acid SCHEMBL8113498 0.88 CDK4 (0.52) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL8123969 0.87 CDK4 (0.53) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7963437 0.86 CDK4 (0.48) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7963032 0.85 CDK4 (0.51) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7953339 0.84 CRHR1 (0.49) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7961637 0.84 CDK4 (0.52) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7967869 0.82 CDK4 (0.48) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7965973 0.81 CDK4 (0.49) 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