SCHEMBL4649922

SCHEMBL4649922

CC(C)c1ccc(CNc2ccc(F)c3c2cc(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.46
PTGER4 P35408 7/20 0.41
PTGDR Q13258 6/20 0.41
S1PR3 Q99500 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL4651966 0.92 CCR2 (0.46) CCR2PTGER4PTGDRMRGPRX4
SCHEMBL4654417 0.91 CCR2 (0.44) CCR2PTGER4PTGDRMRGPRX4TP53
SCHEMBL4650219 0.90 CCR2 (0.43) CCR2PTGER4PTGDRMRGPRX4PLA2G2A
SCHEMBL4649957 0.86 CCR2 (0.53) CCR2PTGER4PLA2G2A
SCHEMBL4649594 0.79 CCR2 (0.48) CCR2TP53POLB
SCHEMBL4650663 0.76 CCR2 (0.55) CCR2PTGER4PLA2G2A
SCHEMBL4650004 0.74 CCR2 (0.54) CCR2PLA2G2A
SCHEMBL4650169 0.74 CCR9 (0.55) CCR2
SCHEMBL4649066 0.73 CCR2 (0.43) CCR2PTGER4
SCHEMBL4648818 0.72 CCR2 (0.53) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904487-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006067392-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed