SCHEMBL7313310

SCHEMBL7313310

COC(=O)CCCN1CCN(C2OC(=O)N(CCCN3CCN(C(C)C)CC3)C2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
DAO P14920 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR4 Q13639 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7306138 0.96 SMN1; SMN2 (0.36) MAOBKEAP1NFE2L2DAOFPR3
SCHEMBL7305673 0.90 HRH3 (0.31) KEAP1NFE2L2SMN1; SMN2HTR4SIGMAR1
SCHEMBL7317073 0.89 MEN1 (0.33) FPR3FPR2SMN1; SMN2
SCHEMBL7314586 0.89 MAOB (0.37) MAOBDAOSMN1; SMN2HTR4
SCHEMBL7311515 0.87 MAOB (0.37) MAOBDAOSMN1; SMN2HTR4
SCHEMBL7307179 0.87 OPRL1 (0.33) FPR3FPR2SMN1; SMN2HTR4SIGMAR1
SCHEMBL7303823 0.86 PAOX (0.35) FPR3FPR2SMN1; SMN2
SCHEMBL7314564 0.85 SMN1; SMN2 (0.33) MAOBKEAP1NFE2L2FPR3FPR2
SCHEMBL7300811 0.85 MAOB (0.37) MAOBDAOHTR4SIGMAR1
SCHEMBL7314712 0.85 SMN1; SMN2 (0.38) FPR3FPR2SMN1; 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