SCHEMBL4007963

SCHEMBL4007963

CC(C)c1nc(-c2ccc(Cl)cc2)nc(OCC2CC2)c1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.42
CNR2 P34972 6/20 0.41
LIPE Q05469 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ATM Q13315 1/20 0.36
SGK1 O00141 1/20 0.36
KMO O15229 1/20 0.35

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
SCHEMBL4014101 0.88 ALDH1A1 (0.41) CNR1CNR2
SCHEMBL4008512 0.86 MAPT (0.42) ATM
SCHEMBL4009395 0.86 CNR1 (0.41) CNR1CNR2HRH3
SCHEMBL4007961 0.85 CNR1 (0.43) CNR1CNR2LIPEHRH3ATM
SCHEMBL4008889 0.84 DHPS (0.41) ATMSGK1
SCHEMBL4014250 0.82 MEN1 (0.44) ATM
SCHEMBL4007805 0.82 CNR1 (0.41) CNR1LIPEATMKMO
SCHEMBL4015164 0.81 ATM (0.52) CNR1CNR2ATMSGK1
SCHEMBL8021652 0.80 CYP1A2 (0.42) CNR1CNR2
SCHEMBL4011472 0.77 MAPT (0.39) LIPEATM

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
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed