SCHEMBL8295674

SCHEMBL8295674

Cn1cc2cc(NC3OCO3)cc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.37
SLC2A2 P11168 1/20 0.34
HSD11B1 P28845 1/20 0.34
MMP12 P39900 1/20 0.33
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL3361832 0.71 CRHR1 (0.52) CRHR1HSD11B1F2RL3
SCHEMBL3361898 0.70 JAK2 (0.44) CRHR1HSD11B1F2RL3
Hydrochloric Acid SCHEMBL3364528 0.70 CRHR1 (0.51) CRHR1HSD11B1
SCHEMBL14206582 0.65 HSD11B1 (0.36) CRHR1HSD11B1F2RL3
SCHEMBL3364325 0.64 NPC1 (0.42) CRHR1HSD11B1
Hydrochloric Acid SCHEMBL3364477 0.63 NPC1 (0.41) CRHR1HSD11B1
SCHEMBL12856408 0.63 HSD11B1 (0.54) CRHR1HSD11B1F2RL3
SCHEMBL3365276 0.62 NPC1 (0.43) CRHR1HSD11B1F2RL3
SCHEMBL12859298 0.61 HSD11B1 (0.47) CRHR1HSD11B1MMP12F2RL3
SCHEMBL12871630 0.60 HSD11B1 (0.46) CRHR1HSD11B1

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-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed