SCHEMBL9055421

SCHEMBL9055421

CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(=O)OC(C)=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.46
CYP1A2 P05177 1/20 0.46
CCR5 P51681 4/20 0.43
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8168635 0.90 PTGER1 (0.48) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL4868816 0.90 PTGER1 (0.54) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL7803947 0.88 PTGER1 (0.48) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8161439 0.86 PTGER1 (0.46) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8167536 0.84 USP28 (0.46) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8154853 0.82 PTGER1 (0.46) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8167529 0.82 PTGER1 (0.45) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL1907786 0.78 RXRA (0.53) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL8167308 0.78 PTGER1 (0.54) PTGER1CYP1A2CCR5
SCHEMBL8154589 0.78 PTGER1 (0.45) PTGER1CYP1A2CCR5USP28USP25

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
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed