SCHEMBL7076151

SCHEMBL7076151

O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.66
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
GPR35 Q9HC97 1/20 0.48
DAO P14920 1/20 0.47
MCL1 Q07820 3/20 0.46
PLA2G10 O15496 1/20 0.45
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL6303578 0.84 CCR2 (0.62) CCR2ALDH1A1
SCHEMBL6303082 0.84 CCR2 (0.62) CCR2GPR35
SCHEMBL3963484 0.82 F10 (0.64) CCR2
SCHEMBL5378162 0.80 CCR2 (1.00) CCR2ALDH1A1CYP1A2POLBGPR35
SCHEMBL6307832 0.80 CCR2 (0.65) CCR2
SCHEMBL3959057 0.80 F10 (0.64) CCR2
SCHEMBL3958973 0.80 F10 (0.68)
SCHEMBL3967220 0.79 CCR2 (0.64) CCR2ALDH1A1CYP1A2POLB
SCHEMBL3963131 0.78 F10 (0.63) CCR2
SCHEMBL3961949 0.78 CCR2 (1.00) CCR2GPR35

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed