SCHEMBL1714243

SCHEMBL1714243

C[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1C(=O)Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.75
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CCR1 P32246 1/20 0.49

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
SCHEMBL27693305 1.00 PTGDR2 (0.75) PTGDR2MEN1ALOX15TSHRMAPK1
SCHEMBL27712896 1.00 PTGDR2 (0.75) PTGDR2MEN1ALOX15TSHRMAPK1
SCHEMBL1714242 0.90 PTGDR2 (0.75) PTGDR2CCR1
SCHEMBL4607656 0.89 PTGDR2 (0.90) PTGDR2CCR1
SCHEMBL27693218 0.89 PTGDR2 (0.60) PTGDR2MEN1ALOX15TSHRMAPK1
SCHEMBL27712889 0.88 PTGDR2 (0.60) PTGDR2MEN1ALOX15KMT2ASMN1; SMN2
SCHEMBL27693394 0.87 PTGDR2 (0.58) PTGDR2MEN1ALOX15TSHRMAPK1
SCHEMBL4941310 0.86 PTGDR2 (1.00) PTGDR2CCR1
SCHEMBL1713552 0.85 PTGDR2 (0.78) PTGDR2CCR1
SCHEMBL27727369 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
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP claimed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN claimed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed