SCHEMBL8040909

SCHEMBL8040909

CCCOc1nc(-c2ccc(Cl)cc2)nc(C2CC2)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
SLC6A3 Q01959 3/20 0.43
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
DHPS P49366 1/20 0.37
NAMPT P43490 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
TACR2 P21452 1/20 0.37
PSD A5PKW4 1/20 0.37

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
SCHEMBL8031734 0.91 SLC6A3 (0.44) CNR1SLC6A3PDE4BPDE4DNAMPT
SCHEMBL4009406 0.89 FABP4 (0.42) CNR1PDE4BPDE4DDHPSNAMPT
SCHEMBL8033148 0.87 SLC6A3 (0.48) SLC6A3PDE4BPDE4DPSD
SCHEMBL8031484 0.86 SLC6A3 (0.42) CNR1SLC6A3PDE4BPDE4DNAMPT
SCHEMBL4014601 0.83 DHPS (0.42) CNR1SLC6A3PDE4BPDE4DDHPS
SCHEMBL8022478 0.83 ATM (0.46) CNR1SLC6A3PDE4BPDE4DPSD
SCHEMBL4009408 0.81 DHPS (0.39) CNR1PDE4BPDE4DDHPSNAMPT
SCHEMBL4006528 0.80 FABP4 (0.43) SLC6A3PDE4BPDE4DNAMPTADORA3
SCHEMBL8031870 0.78 SLC6A3 (0.42) CNR1SLC6A3PDE4BPDE4DADORA3
SCHEMBL8040753 0.76 FABP4 (0.46) SLC6A3PDE4BPDE4DADORA3

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