SCHEMBL6429979

SCHEMBL6429979

CCC(COC)Nc1ccnc(Oc2c(OC)ccc(Cl)c2OC)c1COC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1C Q14123 1/20 0.35
CRHR1 P34998 1/20 0.30

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
SCHEMBL6430364 0.81 CRHR1 (0.39) CRHR1
SCHEMBL5844489 0.78 CRHR1 (0.43) PDE1BPDE1APDE1CCRHR1
SCHEMBL6428305 0.75 CRHR1 (0.44) CRHR1
SCHEMBL6429459 0.66 CRHR1 (0.37) CRHR1
SCHEMBL5844690 0.65 CRHR1 (0.42) CRHR1
SCHEMBL6400645 0.64 CRHR1 (0.48) CRHR1
SCHEMBL6082899 0.61 CRHR1 (0.39) PDE1BPDE1APDE1CCRHR1
SCHEMBL5843223 0.61 CRHR1 (0.49) CRHR1
SCHEMBL6450221 0.61 CRHR1 (0.39) CRHR1
SCHEMBL5844294 0.60 CRHR1 (0.46) PDE1BCRHR1

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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed