SCHEMBL4697476

SCHEMBL4697476

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 3/20 0.46
SLC2A2 P11168 1/20 0.43
CRHR1 P34998 5/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
METAP2 P50579 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC2A1 P11166 3/20 0.39
PDE4B Q07343 1/20 0.39
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL5526721 0.82 CRHR1 (0.40) CRHR1KDM4EMAPTALDH1A1
SCHEMBL14206651 0.81 MAPK8 (0.43) KDM4EL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL3839128 0.81 CRHR1 (0.51) CRHR1
SCHEMBL3839766 0.80 CRHR1 (0.46) CRHR1
SCHEMBL3364753 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3364574 0.79 CRHR1 (0.50) CRHR1
SCHEMBL3367636 0.79 SMN1; SMN2 (0.38) CRHR1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5526147 0.78 CRHR1 (0.41) CRHR1KDM4EMAPTALDH1A1MAPK1
SCHEMBL3364166 0.78 CRHR1 (0.42) CRHR1KDM4EMAPTALDH1A1MAPK1
SCHEMBL3364854 0.78 CRHR1 (0.56) CRHR1KDM4EALDH1A1

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 7 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
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP claimed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO claimed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed