SCHEMBL6504824

SCHEMBL6504824

CCCCCc1c(O)nn2c(-c3ccc(Cl)cc3Cl)c(C)cnc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.41
DPP4 P27487 2/20 0.39

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
SCHEMBL6495416 0.87 CRHR1 (0.44) CRHR1
SCHEMBL6497957 0.86 CRHR1 (0.43) CRHR1
SCHEMBL6496775 0.85 CRHR1 (0.41) CRHR1DPP4
SCHEMBL6504823 0.80 CRHR1 (0.38) CRHR1DPP4
SCHEMBL6497952 0.73 CRHR1 (0.41) CRHR1
SCHEMBL6496629 0.71 CRHR1 (0.41) CRHR1DPP4
SCHEMBL6495413 0.71 CRHR1 (0.39) CRHR1
SCHEMBL6496771 0.69 CRHR1 (0.40) CRHR1DPP4
SCHEMBL6495922 0.69 NPC1 (0.50) CRHR1
SCHEMBL6497711 0.68 NPC1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed