SCHEMBL8522874

SCHEMBL8522874

Cc1cc(C)c(-c2c(C)n(C)c3c(OC4CCOC4)ccnc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
SYK P43405 2/20 0.35
CRHR1 P34998 2/20 0.34
GRM4 Q14833 5/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PDE4A P27815 4/20 0.33
POLB P06746 1/20 0.32
EZH2 Q15910 1/20 0.32
PDE4B Q07343 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
SCHEMBL14877644 0.69 LRRK2 (0.44) LRRK2SYKGRM4IRAK4PDE4A
SCHEMBL5787986 0.69 BRD4 (0.35) CRHR1IRAK4PDE4APDE4B
SCHEMBL5787990 0.69 BRD4 (0.35) CRHR1IRAK4PDE4APDE4B
SCHEMBL15086908 0.65 LRRK2 (0.49) LRRK2SYK
SCHEMBL8277618 0.65 LRRK2 (0.49) LRRK2SYK
SCHEMBL6305307 0.65 CRHR1 (0.46) CRHR1PDE4APDE4B
SCHEMBL5788374 0.65 IRAK4 (0.37) LRRK2CRHR1IRAK4
SCHEMBL5599539 0.65 IRAK4 (0.37) LRRK2CRHR1IRAK4
SCHEMBL6634034 0.64 SYK (0.38) LRRK2SYKPDE4APDE4B
SCHEMBL24498739 0.63 SYK (0.46) SYKPDE4APDE4B

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-0923582-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-23 EP disclosed
WO-1998008847-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO disclosed