SCHEMBL8167308

SCHEMBL8167308

CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1cnc(C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.54
CYP1A2 P05177 1/20 0.54
CCR5 P51681 5/20 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
SCHEMBL8168199 0.91 PTGER1 (0.48) PTGER1CYP1A2CCR5
SCHEMBL8167309 0.86 PTGER1 (0.46) PTGER1CYP1A2CCR5
SCHEMBL1907786 0.86 RXRA (0.53) PTGER1CYP1A2CCR5
SCHEMBL4868816 0.86 PTGER1 (0.54) PTGER1CYP1A2CCR5
SCHEMBL27539997 0.83 PTGER1 (0.51) PTGER1CYP1A2CCR5
SCHEMBL8155611 0.82 PTGER1 (0.46) PTGER1CYP1A2CCR5
SCHEMBL8167295 0.82 PTGER1 (0.46) PTGER1CYP1A2CCR5
SCHEMBL7662467 0.82 CCR5 (0.45) PTGER1CYP1A2CCR5
SCHEMBL8703967 0.81 CCR5 (0.48) PTGER1CYP1A2CCR5
SCHEMBL8167820 0.80 PTGER1 (0.52) PTGER1CYP1A2CCR5

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-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP claimed