SCHEMBL8167295

SCHEMBL8167295

CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.46
CYP1A2 P05177 1/20 0.46
CCR5 P51681 5/20 0.45
RXRA P19793 1/20 0.45
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1907786 0.92 RXRA (0.53) PTGER1CYP1A2CCR5RXRAUSP28
SCHEMBL7662467 0.90 CCR5 (0.45) PTGER1CYP1A2CCR5RXRAUSP28
SCHEMBL8810232 0.89 PARP15 (0.49) PTGER1RXRAALDH1A1RAB9ALMNA
SCHEMBL8703967 0.87 CCR5 (0.48) PTGER1CYP1A2CCR5RXRA
SCHEMBL8162566 0.87 CCR5 (0.45) PTGER1CYP1A2CCR5RXRAHTT
SCHEMBL8161075 0.87 LMNA (0.48) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8167158 0.86 RAB9A (0.44) PTGER1CYP1A2CCR5RXRAUSP28
SCHEMBL8155611 0.85 PTGER1 (0.46) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8701112 0.85 CCR5 (0.46) PTGER1CYP1A2CCR5RXRAALDH1A1
SCHEMBL8162210 0.85 ALDH1A1 (0.45) PTGER1CYP1A2CCR5RXRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed