SCHEMBL6777700

SCHEMBL6777700

Cc1cc(C)c(-n2c(C)c(C)c3c(CCCCCO)nc(C)nc32)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
CRHR1 P34998 13/20 0.54

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
SCHEMBL6779480 0.96 TDP1 (0.62) TDP1CRHR1
SCHEMBL6780429 0.83 CRHR1 (0.54) TDP1CRHR1
SCHEMBL9276132 0.81 CRHR1 (0.56) TDP1CRHR1
SCHEMBL6779165 0.81 CRHR1 (0.51) TDP1CRHR1
SCHEMBL6774578 0.80 CRHR1 (0.56) TDP1CRHR1
SCHEMBL6778808 0.80 CRHR1 (0.48) TDP1CRHR1
SCHEMBL6780425 0.79 CRHR1 (0.53) TDP1CRHR1
SCHEMBL9390744 0.78 CRHR1 (0.51) TDP1CRHR1
SCHEMBL9393697 0.76 CRHR1 (0.52) TDP1CRHR1
SCHEMBL9390738 0.75 CRHR1 (0.53) TDP1CRHR1

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