SCHEMBL5866745

SCHEMBL5866745

CCC(CC)c1nsc2c(Nc3c(C)cc(C)cc3C)nc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.39
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL5867014 0.81 CRHR1 (0.35) CRHR1RAPGEF4
SCHEMBL8813320 0.76 CRHR1 (0.39) CRHR1
SCHEMBL5844119 0.67 CRHR1 (0.59) CRHR1RAPGEF4
SCHEMBL5866772 0.66 CRHR1 (0.35) CRHR1RAPGEF4
SCHEMBL5844351 0.65 CRHR1 (0.53) CRHR1RAPGEF4
SCHEMBL5844541 0.65 CRHR1 (0.50) CRHR1RAPGEF4
SCHEMBL5845092 0.65 CRHR1 (0.50) CRHR1RAPGEF4
SCHEMBL7013499 0.63 CRHR1 (0.44) CRHR1
SCHEMBL7480702 0.63 CRHR1 (0.52) CRHR1
SCHEMBL5866766 0.63 CRHR1 (0.38) CRHR1RAPGEF4

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 2 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-A1 Substituted heterocyclic derivatives as CRF antagonists PFIZER INC. (US) 1997-06-11 EP disclosed