SCHEMBL5230405

SCHEMBL5230405

CCc1nn(CCN(C(=O)O)C(C)(C)C)c(CNCc2ccc(OC)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CNR1 P21554 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL5224713 0.90 PTGDR2 (0.35) PTGDR2MEN1KMT2A
SCHEMBL509764 0.84 ALDH1A1 (0.39) PTGDR2CNR1LMNARXFP1KMT2A
SCHEMBL5226561 0.83 PTGDR2 (0.35) PTGDR2
SCHEMBL5228699 0.82 POLB (0.36) PTGDR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL12133533 0.79 POLB (0.32) PTGDR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL5233666 0.77 PTGDR2 (0.33) PTGDR2
SCHEMBL5226341 0.76 FAAH (0.33) PTGDR2LMNAMEN1KMT2A
SCHEMBL509028 0.74 PTGDR2 (0.38) PTGDR2MEN1KMT2ACARM1PRMT6
SCHEMBL5228035 0.71 CACNA1G (0.41) PTGDR2CNR1
SCHEMBL509007 0.69 MAPT (0.36) PTGDR2

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed