SCHEMBL7488177

SCHEMBL7488177

O=C(O)c1cc2cc(NCc3c(Cl)cccc3Cl)ccc2n1Cc1cc2c(cc1Cl)COO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.46
SERPINE1 P05121 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ABCB11 O95342 2/20 0.37

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
SCHEMBL7496564 0.88 MAPT (0.42) CCR2KDM4EALDH1A1GAATSHR
SCHEMBL7498811 0.87 CCR2 (0.49) CCR2SERPINE1KDM4EALDH1A1LMNA
SCHEMBL7137416 0.84 CCR2 (0.45) CCR2ABCB11
SCHEMBL7466632 0.81 CCR2 (0.45) CCR2ABCB11
SCHEMBL7496568 0.76 MAPT (0.44) CCR2KDM4EALDH1A1LMNAGAA
SCHEMBL7470926 0.73 CCR2 (0.44) CCR2ABCB11
SCHEMBL7473359 0.73 CCR2 (0.44) CCR2ABCB11
SCHEMBL7467118 0.73 CCR2 (0.50) CCR2ABCB11
SCHEMBL8389272 0.72 CCR2 (0.54) CCR2ABCB11
SCHEMBL7465994 0.72 PLA2G4A (0.46) CCR2ABCB11

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-1242075-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP disclosed
EP-1242075-A2 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001030752-A2 INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-03 WO disclosed