SCHEMBL5866827

SCHEMBL5866827

CCC(CC)n1cc(C)c2c(Oc3c(C)cc(Br)cc3C)nc(C)cc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42

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
SCHEMBL5866861 0.93 CRHR1 (0.39) CRHR1
SCHEMBL5867029 0.90 CRHR1 (0.52) CRHR1
SCHEMBL5866784 0.90 CRHR1 (0.37) CRHR1
SCHEMBL5866844 0.89 CRHR1 (0.41) CRHR1
SCHEMBL5866831 0.88 CRHR1 (0.42) CRHR1
SCHEMBL5866758 0.88 CRHR1 (0.42) CRHR1
SCHEMBL5867003 0.87 CRHR1 (0.41) CRHR1
SCHEMBL5866741 0.86 CRHR1 (0.40) CRHR1
SCHEMBL5866865 0.86 CRHR1 (0.44) CRHR1
SCHEMBL5866749 0.86 CRHR1 (0.40) CRHR1

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-6992188-B1 Substituted heterocyclic derivatives PFIZER, INC. (US) 2006-01-31 US disclosed
EP-0778277-B1 Substituted heterocyclic derivatives as CRF antagonists PFIZER (US) 2003-06-25 EP disclosed
EP-0778277-A1 Substituted heterocyclic derivatives as CRF antagonists PFIZER INC. (US) 1997-06-11 EP disclosed