SCHEMBL2933140

SCHEMBL2933140

CCC(CC)c1cc(C)nc2c(-c3sc(N(C)C)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2930712 0.87 CRHR1 (0.39) CRHR1KDM4EPOLBMAPT
SCHEMBL2498882 0.87 POLB (0.39) CRHR1KDM4EPOLBCYP1A2GRM8
SCHEMBL2495462 0.86 KDM4E (0.38) CRHR1KDM4EPOLBCYP1A2GRM8
SCHEMBL2932988 0.85 CRHR1 (0.38) CRHR1KDM4EPOLBMAPT
SCHEMBL2929183 0.83 CRHR1 (0.38) CRHR1
SCHEMBL2495432 0.82 POLB (0.40) CRHR1KDM4EPOLBCYP1A2GRM8
SCHEMBL2500602 0.82 CRHR1 (0.32) CRHR1CYP1A2GRM8GRM7
SCHEMBL2493432 0.82 CYP1A2 (0.37) CRHR1KDM4EPOLBCYP1A2GRM8
Hydrochloric Acid SCHEMBL545948 0.80 CRHR1 (0.40) CRHR1POLB
SCHEMBL2931328 0.80 PIK3CG (0.38) KDM4EPOLBCYP1A2GRM8GRM7

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
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed