SCHEMBL5215969

SCHEMBL5215969

CCOC(=O)c1c(C(=O)NCC2CCCO2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
TSHR P16473 3/20 0.52
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CCR2 P41597 3/20 0.48
SHMT2 P34897 1/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5213680 0.81 CCR2 (0.65) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL5213738 0.80 P2RX7 (0.49) HPGDTSHRGAASMN1; SMN2CCR2
SCHEMBL6302584 0.80 CCR2 (0.62) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL5214863 0.80 CCR2 (0.76) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL5217008 0.78 CCR2 (0.48) ALDH1A1HPGDTSHRGAAKMT2A
SCHEMBL5220576 0.77 CCR2 (0.61) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL5216535 0.75 CCR2 (0.59) ALDH1A1HPGDTSHRGAASMN1; SMN2
SCHEMBL5214927 0.75 CCR2 (0.59) ALDH1A1HPGDTSHRGAAKMT2A
SCHEMBL8688955 0.75 CCR2 (0.59) ALDH1A1HPGDTSHRGAAKMT2A
SCHEMBL5214254 0.74 CCR2 (0.52) ALDH1A1HPGDGAAKDM4ESMN1; SMN2

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