SCHEMBL8655552

SCHEMBL8655552

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCN2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.31
GAA P10253 1/20 0.30
KDM1A O60341 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
SCHEMBL8655456 0.96 SMN1; SMN2 (0.34) SMN1; SMN2GLAGAAKDM1A
SCHEMBL8655360 0.95 SMN1; SMN2 (0.34) SMN1; SMN2GLA
SCHEMBL8654642 0.94 SMN1; SMN2 (0.40) SMN1; SMN2KDM1A
SCHEMBL8659278 0.92 SMN1; SMN2 (0.39) SMN1; SMN2GAAKDM1A
SCHEMBL8658988 0.91 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL8656251 0.91 SMN1; SMN2 (0.34) SMN1; SMN2GAA
SCHEMBL8660886 0.90 ITGB3 (0.32) SMN1; SMN2GAAKDM1A
SCHEMBL8658243 0.90 SMN1; SMN2 (0.34) SMN1; SMN2GAA
SCHEMBL8661852 0.90 SMN1; SMN2 (0.34) SMN1; SMN2GAA
SCHEMBL8655222 0.89 MAPK1 (0.34) SMN1; 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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed