SCHEMBL2930712

SCHEMBL2930712

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2932988 0.91 CRHR1 (0.38) CRHR1POLBHPGDKDM4EMAPT
SCHEMBL2933140 0.87 CRHR1 (0.38) CRHR1POLBKDM4EMAPT
SCHEMBL2931270 0.85 HPGD (0.39) CRHR1POLBHPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL545948 0.83 CRHR1 (0.40) CRHR1POLBHPGD
SCHEMBL2497003 0.83 CRHR1 (0.39) CRHR1HPGDKDM4E
SCHEMBL2502636 0.82 CRHR1 (0.39) CRHR1POLBHPGDKDM4E
SCHEMBL2497805 0.79 HPGD (0.38) CRHR1POLBHPGDKDM4EMAPT
SCHEMBL12409295 0.79 CRHR1 (0.40) CRHR1POLBHPGDKDM4EMAPT
SCHEMBL545543 0.78 HPGD (0.40) CRHR1POLBHPGDKDM4EMAPT
SCHEMBL2178265 0.78 CRHR1 (0.39) CRHR1POLBHPGDKDM4EMAPT

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