SCHEMBL7304262

SCHEMBL7304262

COC(=O)CCCN1CCN(CC2CN(CCN3CCN(C4CC4)CC3)C(=O)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
HTR2B P41595 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MAOA P21397 1/20 0.33
CCR2 P41597 2/20 0.32
HTR7 P34969 1/20 0.32
GLA P06280 1/20 0.32
KCNH2 Q12809 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
SCHEMBL7316513 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HTR2BITGB3ITGA2BCCR2
SCHEMBL7316726 0.91 HTR7 (0.39) SMN1; SMN2HTR7
SCHEMBL7303812 0.91 MAOA (0.36) SMN1; SMN2HTR2BITGB3ITGA2BMAOA
SCHEMBL7313185 0.90 ITGB3 (0.40) HTR2BITGB3ITGA2BCCR2HTR7
SCHEMBL7310289 0.89 GAA (0.34) SMN1; SMN2HTR2BITGB3ITGA2BMAOA
SCHEMBL7313418 0.87 HTR2B (0.38) SMN1; SMN2HTR2BMAOAHTR7
SCHEMBL7318017 0.87 HTR7 (0.39) SMN1; SMN2HTR7
SCHEMBL7309013 0.86 HTR7 (0.37) SMN1; SMN2HTR2BHTR7KCNH2
SCHEMBL7315008 0.86 GAA (0.39) SMN1; SMN2HTR2BHTR7KCNH2
SCHEMBL7317060 0.84 MAPK1 (0.37) SMN1; SMN2HTR2BITGB3ITGA2BMAOA

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