SCHEMBL5224713

SCHEMBL5224713

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
KCNH2 Q12809 1/20 0.34
PGR P06401 5/20 0.31
P2RY14 Q15391 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B1 P15121 1/20 0.31
PPARA Q07869 1/20 0.31
CACNA1H O95180 1/20 0.30

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
SCHEMBL5230405 0.90 PTGDR2 (0.37) PTGDR2MEN1KMT2A
SCHEMBL509028 0.85 PTGDR2 (0.38) PTGDR2CACNA1GCACNA1BKCNH2PGR
SCHEMBL10285742 0.83 CACNA1G (0.35) PTGDR2CACNA1GCACNA1BKCNH2
SCHEMBL5228035 0.83 CACNA1G (0.41) PTGDR2CACNA1GCACNA1BKCNH2PGR
SCHEMBL5231705 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL5226561 0.81 PTGDR2 (0.35) PTGDR2KCNH2
SCHEMBL5226939 0.80 PTGDR2 (0.35) PTGDR2
SCHEMBL5226225 0.80 PTGDR2 (0.35) PTGDR2
SCHEMBL5228817 0.79 PTGDR2 (0.35) PTGDR2
SCHEMBL5233666 0.75 PTGDR2 (0.33) 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