SCHEMBL6496771

SCHEMBL6496771

CCC(CC)c1c(OC)nn2c(-c3ccc(Cl)cc3Cl)c(C)cnc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.40
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL6504823 0.85 CRHR1 (0.38) CRHR1DPP4
SCHEMBL6496629 0.85 CRHR1 (0.41) CRHR1DPP4
SCHEMBL6496775 0.80 CRHR1 (0.41) CRHR1DPP4DPP8DPP9
SCHEMBL6497952 0.78 CRHR1 (0.41) CRHR1
SCHEMBL6495413 0.74 CRHR1 (0.39) CRHR1
SCHEMBL6504824 0.69 CRHR1 (0.41) CRHR1DPP4
SCHEMBL6495416 0.69 CRHR1 (0.44) CRHR1
SCHEMBL6497957 0.69 CRHR1 (0.43) CRHR1
SCHEMBL6070464 0.65 CRH (0.59) CRHR1
SCHEMBL6495917 0.65 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