SCHEMBL4607873

SCHEMBL4607873

CC[C@H]1CN(Cc2cc(Cl)ccc2OC(C)=O)CCN1C(=O)Cc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.63
CCR1 P32246 9/20 0.49
FPR3 P25089 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
GPR35 Q9HC97 1/20 0.47

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
SCHEMBL4937982 0.85 PTGDR2 (0.70) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL1714226 0.83 PTGDR2 (0.60) PTGDR2
SCHEMBL1713552 0.80 PTGDR2 (0.78) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL27748339 0.80 PTGDR2 (0.78) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5060610 0.80 CCR1 (0.66) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL1714755 0.80 PTGDR2 (0.80) PTGDR2
SCHEMBL4942133 0.79 PTGDR2 (0.78) PTGDR2
SCHEMBL27693218 0.78 PTGDR2 (0.60) PTGDR2
SCHEMBL1713638 0.77 PTGDR2 (1.00) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6246835 0.77 CCR1 (0.67) PTGDR2CCR1FPR3GPR65GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed