SCHEMBL7313291

SCHEMBL7313291

COC(=O)CCCN1CCN(CC2CN(CCCN3CCN(C(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.40
MAOB P27338 4/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
DAO P14920 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL7306126 0.96 HTR2B (0.40) HTR2BMAOBITGB3ITGA2BMAPK1
SCHEMBL7305668 0.89 HTR2B (0.36) HTR2BITGB3ITGA2BCCR2KCNH2
SCHEMBL7317060 0.89 MAPK1 (0.37) HTR2BITGB3ITGA2BMAPK1L3MBTL1
SCHEMBL7314575 0.89 HTR2B (0.44) HTR2BMAOBMAPK1L3MBTL1CCR2
SCHEMBL7311505 0.86 HTR2B (0.44) HTR2BMAOBITGB3ITGA2BMAPK1
SCHEMBL7307174 0.86 MAPK1 (0.39) HTR2BITGB3ITGA2BMAPK1L3MBTL1
SCHEMBL7303812 0.86 MAOA (0.36) HTR2BITGB3ITGA2BMAPK1L3MBTL1
SCHEMBL7314702 0.84 SMN1; SMN2 (0.38) HTR2BITGB3ITGA2BMAPK1L3MBTL1
SCHEMBL7300799 0.84 HTR2B (0.44) HTR2BMAOBITGB3ITGA2BMAPK1
SCHEMBL7316573 0.84 ITGB3 (0.38) HTR2BITGB3ITGA2BMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed