SCHEMBL15322933

SCHEMBL15322933

C(#CC1CC1)c1cc[c]cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.45
CYP1A2 P05177 1/20 0.45
CHRNB2 P17787 2/20 0.31
CHRNA2 Q15822 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL16289797 0.72
SCHEMBL1977973 0.70 FFAR1 (0.43) GRM5CYP1A2CHRNB2CHRNA2CHRNB4
SCHEMBL1033476 0.69
SCHEMBL129622 0.69
SCHEMBL1032627 0.67
SCHEMBL1202438 0.67 GRM5 (0.45) GRM5CYP1A2
SCHEMBL16685697 0.67 GRM5 (0.45) GRM5CYP1A2CHRNB2CHRNA2CHRNB4
SCHEMBL15324177 0.67 GRM5 (0.45) GRM5CYP1A2CHRNB2CHRNA2CHRNB4
SCHEMBL2502685 0.63 KDM4E (0.41) CYP1A2CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL4807933 0.63 GRM5 (0.96) GRM5CYP1A2

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
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO claimed
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed