SCHEMBL8655104

SCHEMBL8655104

COC(=O)CCN1CCN(C2OC(=O)N(C)C2CCCN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DAO P14920 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HDAC1 Q13547 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 2/20 0.31
HTR4 Q13639 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL8657068 0.96 MAOB (0.33) SMN1; SMN2MAOBDAOFPR3FPR2
SCHEMBL8661603 0.92 MAOB (0.33) SMN1; SMN2MAOBALDH1A1DAOTP53
SCHEMBL8656723 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1FPR3FPR2
SCHEMBL8655169 0.89 MAOB (0.35) SMN1; SMN2MAOBDAOHTR4
SCHEMBL8659057 0.88 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1HDAC1EHMT1
SCHEMBL8661335 0.87 CYP1A2 (0.35) SMN1; SMN2MAOBDAOHTR4
SCHEMBL8654817 0.87 HDAC1 (0.33) SMN1; SMN2HDAC1EHMT1HDAC6HTR4
SCHEMBL8658456 0.85 GAA (0.34) SMN1; SMN2KDM4EALDH1A1FPR3FPR2
SCHEMBL8659278 0.84 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL8661588 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1TP53

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed