SCHEMBL6022722

SCHEMBL6022722

CCC(=O)Cc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5048799 0.84 CRHR1 (0.35) CRHR1
SCHEMBL5043583 0.78 TSHR (0.38) CRHR1TP53SMN1; SMN2
SCHEMBL5043187 0.77 CRHR1 (0.37) CRHR1RXRARXRBRXRG
SCHEMBL5047003 0.77 POLB (0.48) CRHR1RXRARXRBRXRG
SCHEMBL5039430 0.77 CRHR1 (0.36) CRHR1RXRARXRBRXRGTP53
SCHEMBL5043423 0.76 CRHR1 (0.32) CRHR1
SCHEMBL14049594 0.76 MAPT (0.33) CRHR1RXRARXRBRXRGSMN1; SMN2
SCHEMBL14031202 0.76 PKM (0.36) CRHR1SMN1; SMN2NPSR1
SCHEMBL5044224 0.75 CRHR1 (0.30) CRHR1
SCHEMBL5044137 0.75 CRHR1 (0.31) CRHR1RXRARXRBRXRG

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-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 EP disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 WO disclosed