SCHEMBL7129308

SCHEMBL7129308

O=C(O)c1cc2cc(Br)ccc2n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.69
CCR9 P51686 1/20 0.54
ABCB11 O95342 1/20 0.50
MCL1 Q07820 1/20 0.48
PTGS2 P35354 1/20 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
SCHEMBL8481856 0.85 NOD2 (0.55) CCR2PTGS2
SCHEMBL8483705 0.84 CCR2 (0.51) CCR2PTGS2
SCHEMBL15712743 0.84 CCR2 (0.77) CCR2
SCHEMBL27663338 0.83 CCR2 (0.71) CCR2CCR9ABCB11MCL1
SCHEMBL7129310 0.83 CCR2 (0.48) CCR2PTGS2
SCHEMBL6302535 0.81 CCR2 (1.00) CCR2ABCB11
SCHEMBL6303781 0.81 CCR2 (0.79) CCR2ABCB11
SCHEMBL4204898 0.81 CCR2 (0.71) CCR2CCR9ABCB11
SCHEMBL6306900 0.81 CCR2 (0.71) CCR2CCR9ABCB11PTGS2
SCHEMBL15642750 0.80 CCR2 (0.76) CCR2CCR9ABCB11MCL1PTGS2

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-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed
US-5859044-A TREATING DIABETES, HYPERGLYCEMIA, OBESITY; INCREASING CONTENT OF LEAN MEAT IN ANIMALS PFIZER INC. (US) 1999-01-12 US disclosed
EP-0822185-A1 B-3-adrenergic agonists as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-02-04 EP disclosed