SCHEMBL6780425

SCHEMBL6780425

CCCC(O)CCc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.53
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL6774578 0.92 CRHR1 (0.56) CRHR1TDP1
SCHEMBL6780429 0.86 CRHR1 (0.54) CRHR1TDP1
SCHEMBL6779480 0.80 TDP1 (0.62) CRHR1TDP1
SCHEMBL6777700 0.79 TDP1 (0.61) CRHR1TDP1
SCHEMBL8365944 0.77 CRHR1 (0.60) CRHR1TDP1
SCHEMBL9276132 0.77 CRHR1 (0.56) CRHR1TDP1
SCHEMBL6779165 0.77 CRHR1 (0.51) CRHR1TDP1
SCHEMBL6778808 0.76 CRHR1 (0.48) CRHR1TDP1
SCHEMBL6779487 0.76 CRHR1 (0.56) CRHR1TDP1
SCHEMBL6779478 0.75 CRHR1 (0.60) 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 1 patent. 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