SCHEMBL13617373

SCHEMBL13617373

CN(C)n1ccnc1C(O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.39
EGLN2 Q96KS0 1/20 0.34
FFAR1 O14842 1/20 0.34
TNKS O95271 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3839446 0.86 CRHR1 (0.36) CRHR1FFAR1TNKSF2RL3
SCHEMBL3841761 0.80 CRHR1 (0.42) CRHR1FFAR1
SCHEMBL13617783 0.79 CRHR1 (0.41) CRHR1TNKSF2RL3
SCHEMBL3365798 0.79 CRHR1 (0.49) CRHR1F2RL3
SCHEMBL3841123 0.76 CRHR1 (0.38) CRHR1EGLN2FFAR1
SCHEMBL13617365 0.75 CRHR1 (0.41) CRHR1
SCHEMBL14377983 0.74 CRHR1 (0.37) CRHR1TNKSF2RL3
SCHEMBL3367923 0.72 CRHR1 (0.53) CRHR1TNKSF2RL3
SCHEMBL3364854 0.71 CRHR1 (0.56) CRHR1TNKSF2RL3
SCHEMBL3364275 0.70 CRHR1 (0.58) CRHR1TNKSF2RL3

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