SCHEMBL4697443

SCHEMBL4697443

CCC=C(CCC)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.42
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA2 P47869 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4697442 1.00 CRHR1 (0.42) CRHR1GABRG2GABRB3GABRA2KDM4E
Hydrochloric Acid SCHEMBL4698416 0.99 CRHR1 (0.42) CRHR1GABRG2GABRB3GABRA2KDM4E
Hydrochloric Acid SCHEMBL4698414 0.99 CRHR1 (0.42) CRHR1GABRG2GABRB3GABRA2KDM4E
SCHEMBL14409410 0.83 KDM4E (0.37) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4698038 0.79 CRHR1 (0.34) CRHR1
SCHEMBL4698044 0.79 CRHR1 (0.34) CRHR1
SCHEMBL4698043 0.79 CRHR1 (0.34) CRHR1
SCHEMBL3364072 0.78 GRM2 (0.40) ALDH1A1MAPT
SCHEMBL3364083 0.78 GRM2 (0.40) ALDH1A1MAPT
SCHEMBL3364077 0.78 GRM2 (0.40) ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed