SCHEMBL8580276

SCHEMBL8580276

NCCNCCNC(CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
GGT1 P19440 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.41
ACE P12821 1/20 0.40
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 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
SCHEMBL1627691 0.81 ALDH1A1 (0.44) SMN1; SMN2HTT
SCHEMBL6897110 0.81 LMNA (0.49) SMN1; SMN2CTSLOPRK1TSHR
SCHEMBL8301017 0.78 TLR2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4GGT1
SCHEMBL2026078 0.77 FOLH1 (0.50) GGT1SMN1; SMN2HTTITGB3ITGA2B
SCHEMBL2026077 0.77 FOLH1 (0.50) GGT1SMN1; SMN2HTTITGB3ITGA2B
SCHEMBL6446635 0.76 FOLH1 (0.49) GGT1SMN1; SMN2HTTITGB3ITGA2B
SCHEMBL6446640 0.76 FOLH1 (0.49) GGT1SMN1; SMN2HTTITGB3ITGA2B
SCHEMBL31490032 0.76 TGM2 (0.42) SMN1; SMN2CTSLHTTITGB3ITGA2B
Serine SCHEMBL7381496 0.75 SLC1A3 (0.45) HTT
SCHEMBL6377386 0.75 TLR2 (0.57) ITGB3ITGA2B

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
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed