SCHEMBL1713552

SCHEMBL1713552

CC(=O)Oc1ccc(Cl)cc1CN1CCN(C(=O)Cc2ccccc2)C(C)C1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.78
CCR1 P32246 2/20 0.52
FPR3 P25089 1/20 0.50
GPR65 Q8IYL9 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL27748339 1.00 PTGDR2 (0.78) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL27727370 0.91 PTGDR2 (0.76) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL27852042 0.91 PTGDR2 (0.76) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL1713836 0.88 PTGDR2 (1.00) PTGDR2CCR1
SCHEMBL1713926 0.88 PTGDR2 (1.00) PTGDR2CCR1
SCHEMBL1713551 0.88 PTGDR2 (1.00) PTGDR2CCR1
SCHEMBL1713722 0.86 PTGDR2 (0.91) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL1714242 0.85 PTGDR2 (0.75) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL27693305 0.85 PTGDR2 (0.75) PTGDR2CCR1
SCHEMBL1714243 0.85 PTGDR2 (0.75) PTGDR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN claimed
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed