SCHEMBL6977211

SCHEMBL6977211

CCCCCCCCNC(=O)N1CCC(c2cc(Cc3ccc(OC)cc3)nc(N)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADRB3 P13945 4/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
PLA2G2A P14555 4/20 0.41
PI4KB Q9UBF8 1/20 0.40
EPHX2 P34913 1/20 0.40
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
NAMPT P43490 1/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6981142 0.84 GLA (0.55) CHRM4PI4KBHRH3
SCHEMBL6981137 0.81 SMN1; SMN2 (0.54) PI4KB
SCHEMBL6972466 0.79 ALDH1A1 (0.44)
SCHEMBL6976878 0.78 HSD11B1 (0.51)
SCHEMBL6976781 0.77 ALDH1A1 (0.43)
SCHEMBL6976438 0.76 NPC1 (0.45)
SCHEMBL7123772 0.73 SMN1; SMN2 (0.51)
SCHEMBL6968922 0.72 HRH4 (0.51) HRH2HRH3
SCHEMBL6972446 0.71 HSD17B10 (0.48) TLR7
SCHEMBL6974607 0.70 NAMPT (0.50) TLR7EPHX2NAMPT

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-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed