SCHEMBL2932988

SCHEMBL2932988

CCC(CC)c1cc(C)nc2c(-c3sc(N(C)C)nc3Cl)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2497003 0.92 CRHR1 (0.39) CRHR1ALDH1A1HPGDKDM4E
SCHEMBL2930712 0.91 CRHR1 (0.39) CRHR1HPGDKDM4EMAPTMEN1
SCHEMBL12409295 0.89 CRHR1 (0.40) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2178265 0.88 CRHR1 (0.39) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2933140 0.85 CRHR1 (0.38) CRHR1KDM4EMAPTPOLB
SCHEMBL20756845 0.83 CRHR1 (0.38) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2494970 0.82 CRHR1 (0.38) CRHR1ALDH1A1HPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL545948 0.81 CRHR1 (0.40) CRHR1HPGDPOLB
SCHEMBL20756306 0.81 CRHR1 (0.39) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL25490375 0.81 CRHR1 (0.49) CRHR1ALDH1A1HPGDKDM4EMAPT

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