SCHEMBL6779474

SCHEMBL6779474

CCC(C)C(=O)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.56
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL6774814 0.83 CRHR1 (0.55) CRHR1TDP1
SCHEMBL7219698 0.82 CRHR1 (0.53) CRHR1TDP1
SCHEMBL6783611 0.80 CRHR1 (0.59) CRHR1TDP1
SCHEMBL6773802 0.78 CRHR1 (0.54) CRHR1TDP1
SCHEMBL6773800 0.78 CRHR1 (0.54) CRHR1TDP1
SCHEMBL6778804 0.77 CRHR1 (0.53) CRHR1TDP1
SCHEMBL6778812 0.77 CRHR1 (0.53) CRHR1TDP1
SCHEMBL7220617 0.77 CRHR1 (0.53) CRHR1TDP1
SCHEMBL6779478 0.76 CRHR1 (0.60) CRHR1TDP1
SCHEMBL6774500 0.76 TDP1 (0.53) CRHR1TDP1

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-6765008-B1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES; ANXIOLYTIC AGENTS; NERVOUS SYSTEM, BRAIN, PSYCHOLOGICAL, EATING, AND GASTROINTESTINAL DISORDERS; CORTICOTROPIN-RELEASING FACTOR ANTAGONISTS PFIZER INC 2004-07-20 US disclosed
EP-0674641-B1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 1999-03-03 EP disclosed
WO-1994013676-A1 PYRROLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed