SCHEMBL7489141

SCHEMBL7489141

O=C(O)c1cc2cc(O)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.60
ABCB11 O95342 3/20 0.60
F10 P00742 1/20 0.47
TRAP1 Q12931 1/20 0.46
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL6306908 0.88 CCR2 (0.60) CCR2ABCB11
SCHEMBL7246205 0.87 CCR2 (0.49) CCR2ABCB11
SCHEMBL7076142 0.86 CCR2 (0.60) CCR2TRAP1GPR35
SCHEMBL7247001 0.85 MAPT (0.49) CCR2ABCB11F10
SCHEMBL7465471 0.83 SRD5A2 (0.54) CCR2ABCB11F10
SCHEMBL7472885 0.82 CCR2 (0.48) CCR2ABCB11
SCHEMBL7525789 0.81 ABCB11 (0.49) CCR2ABCB11
SCHEMBL6302551 0.81 CCR2 (0.60) CCR2TRAP1
SCHEMBL7498811 0.81 CCR2 (0.49) CCR2ABCB11
SCHEMBL7455739 0.81 CCR2 (0.57) 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