SCHEMBL7303812

SCHEMBL7303812

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PAOX Q6QHF9 1/20 0.35
GLA P06280 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 5/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
RAD52 P43351 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 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
SCHEMBL7306892 0.93 SMN1; SMN2 (0.41) ITGB3ITGA2BHTR2BSMN1; SMN2HRH3
SCHEMBL7304262 0.91 SMN1; SMN2 (0.34) MAOAITGB3ITGA2BGLAHTR2B
SCHEMBL7313685 0.90 ITGB3 (0.42) ITGB3ITGA2BHTR2BSMN1; SMN2HRH3
SCHEMBL7307174 0.89 MAPK1 (0.39) MAOAITGB3ITGA2BGLAHTR2B
SCHEMBL7317060 0.89 MAPK1 (0.37) MAOAITGB3ITGA2BGLAHTR2B
SCHEMBL7311239 0.89 MAOA (0.35) MAOAITGB3ITGA2BHTR2BSMN1; SMN2
SCHEMBL7313120 0.89 ITGB3 (0.38) MAOAITGB3ITGA2BGLAHTR2B
SCHEMBL7303856 0.88 MAPK1 (0.39) MAOAPAOXGLAHTR2BSMN1; SMN2
SCHEMBL7314130 0.87 ALDH1A1 (0.43) HTR2BTSHRSIGMAR1ALDH1A1
SCHEMBL7313291 0.86 HTR2B (0.40) MAOAITGB3ITGA2BHTR2BSMN1; SMN2

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