SCHEMBL3843571

SCHEMBL3843571

CC(c1nnn[nH]1)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.42
HSD11B1 P28845 5/20 0.35
F2RL3 Q96RI0 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL3844053 0.86 CRHR1 (0.41) CRHR1HSD11B1F2RL3
SCHEMBL3843993 0.83 CRHR1 (0.37) CRHR1HSD11B1F2RL3
SCHEMBL3365798 0.80 CRHR1 (0.49) CRHR1HSD11B1F2RL3
SCHEMBL3846212 0.80 CRHR1 (0.44) CRHR1HSD11B1
SCHEMBL3839883 0.79 CRHR1 (0.42) CRHR1HSD11B1
SCHEMBL3839904 0.76 CRHR1 (0.41) CRHR1HSD11B1
SCHEMBL13617633 0.76 CRHR1 (0.41) CRHR1HSD11B1F2RL3
SCHEMBL3838898 0.76 CRHR1 (0.41) CRHR1HSD11B1F2RL3
SCHEMBL3838897 0.76 CRHR1 (0.41) CRHR1HSD11B1F2RL3
SCHEMBL3843725 0.75 CRHR1 (0.39) CRHR1HSD11B1F2RL3

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-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed