SCHEMBL6989554

SCHEMBL6989554

O=C(c1ccnc(C(=O)N(CCc2ccccc2Oc2ccccc2)CCc2ccccc2Oc2ccccc2)c1)N(CCc1ccccc1Oc1ccccc1)CCc1ccccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
FFAR1 O14842 1/20 0.40
LPAR1 Q92633 7/20 0.39
LPAR5 Q9H1C0 7/20 0.39
PHF8 Q9UPP1 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TSHR P16473 1/20 0.37
SLC1A5 Q15758 4/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL6989551 0.94 KDM4C (0.43) HRH1FFAR1LPAR1LPAR5PHF8
SCHEMBL6232235 0.80 KDM4A (0.43) MAPTKDM4CTSHRRAF1MAP2K1
SCHEMBL6989792 0.79 MEN1 (0.45) LPAR1LPAR5LMNAMAPTKDM4C
SCHEMBL5212416 0.77 KMT2A (0.52) MAPT
SCHEMBL6232231 0.75 KDM4A (0.52) MAPTKDM4CTSHR
SCHEMBL6985002 0.74 KDM4E (0.42) LPAR1LPAR5MAPTKDM4C
SCHEMBL6988723 0.74 SMN1; SMN2 (0.47) MAPTKDM4CTSHRRAF1MAP2K1
SCHEMBL6986949 0.74 SLC2A1 (0.48) LPAR1LPAR5
SCHEMBL6989317 0.73 SMN1; SMN2 (0.47) LMNAMAPT
SCHEMBL6988726 0.72 PTGDR2 (0.47) HRH1LMNAMAPTSLC6A2SLC6A4

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed