SCHEMBL8655360

SCHEMBL8655360

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCCCN2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
STS P08842 3/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30
GLA P06280 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 0.97 SMN1; SMN2 (0.34) SMN1; SMN2GLA
SCHEMBL8658988 0.96 SMN1; SMN2 (0.38) SMN1; SMN2FPR3FPR2
SCHEMBL8655552 0.95 SMN1; SMN2 (0.34) SMN1; SMN2GLA
SCHEMBL8659278 0.93 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL8658243 0.93 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8656289 0.93 OPRL1 (0.33)
SCHEMBL8661852 0.91 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8656251 0.90 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8655698 0.90 GAA (0.32) SMN1; SMN2
SCHEMBL8659526 0.89 ITGB3 (0.35) 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