SCHEMBL5213738

SCHEMBL5213738

CCOC(=O)c1c(C(=O)NCc2c(C)noc2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
CCR2 P41597 4/20 0.48
S1PR3 Q99500 6/20 0.45
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 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
SCHEMBL5213741 0.82 CCR2 (0.48) P2RX7CCR2HTTALOX15CRHBP
SCHEMBL5213680 0.81 CCR2 (0.65) CCR2HTTL3MBTL1GAALMNA
SCHEMBL5215969 0.80 ALDH1A1 (0.52) CCR2HTTGAALMNAMAPT
SCHEMBL5214863 0.79 CCR2 (0.76) CCR2HTTGAALMNAMAPT
SCHEMBL6302584 0.79 CCR2 (0.62) CCR2HTTGAALMNAMAPT
SCHEMBL5220576 0.76 CCR2 (0.61) CCR2S1PR3HTTGAALMNA
SCHEMBL5214927 0.74 CCR2 (0.59) CCR2HTTGAALMNAMAPT
SCHEMBL8688955 0.74 CCR2 (0.59) CCR2HTTGAALMNAMAPT
SCHEMBL5216535 0.74 CCR2 (0.59) CCR2HTTGAALMNAMAPT
SCHEMBL5217008 0.73 CCR2 (0.48) CCR2S1PR3HTTPPARGGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed