SCHEMBL13617375

SCHEMBL13617375

C=C(C)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.49
HSD11B1 P28845 3/20 0.38
F2RL3 Q96RI0 1/20 0.36
TNKS O95271 1/20 0.36

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
SCHEMBL14206630 0.88 CRHR1 (0.49) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3367536 0.85 CRHR1 (0.49) CRHR1HSD11B1F2RL3
SCHEMBL3364750 0.84 CRHR1 (0.48) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3367449 0.82 CRHR1 (0.46) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3364408 0.82 CRHR1 (0.46) CRHR1F2RL3
SCHEMBL3367441 0.82 CRHR1 (0.47) CRHR1
SCHEMBL3399007 0.82 CRHR1 (0.53) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3364854 0.81 CRHR1 (0.56) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3846236 0.81 CRHR1 (0.45) CRHR1
SCHEMBL3364275 0.80 CRHR1 (0.58) CRHR1HSD11B1F2RL3TNKS

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