SCHEMBL7093719

SCHEMBL7093719

OCCCn1c[c]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
GSK3B P49841 3/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
FRK P42685 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL2946816 0.95 CNR2 (0.39) CNR1CNR2CDK4CCND1PRKCB
SCHEMBL2784532 0.82 SLC9A1 (0.40) CNR1CNR2CDK4CCND1
SCHEMBL2836181 0.82 CAMK2D (0.38) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL9581979 0.81
SCHEMBL8082913 0.81 CDK4 (0.38) CDK4CCND1
SCHEMBL3865988 0.80 TDP1 (0.31)
SCHEMBL5541472 0.79 SIGMAR1 (0.44) GSK3BPOLB
SCHEMBL11903850 0.79 CDK4 (0.40) CNR1CNR2CDK4CCND1
SCHEMBL8699910 0.79 SLC9A1 (0.43) CNR1CNR2CDK4CCND1
SCHEMBL11719143 0.79 SLC9A1 (0.43) CNR1CNR2CDK4CCND1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 EP claimed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO disclosed