SCHEMBL8655580

SCHEMBL8655580

COC(=O)CCN1CCN(C2OC(=O)N(C)C2CCCC2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30
ACHE P22303 1/20 0.30
HTR4 Q13639 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
SCHEMBL8661310 0.98 SMN1; SMN2 (0.39) SMN1; SMN2TPSAB1TPSD1TPSG1KDM4E
SCHEMBL8661852 0.96 SMN1; SMN2 (0.34) SMN1; SMN2TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL8658243 0.94 SMN1; SMN2 (0.34) SMN1; SMN2TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL8655367 0.92 TPSAB1 (0.33) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL8656251 0.91 SMN1; SMN2 (0.34) SMN1; SMN2TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL8659278 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL8654586 0.90 TPSAB1 (0.33) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL8658988 0.90 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1
SCHEMBL8655681 0.90 ITGB3 (0.34) TPSAB1TPSD1TPSG1DRD2
SCHEMBL8654642 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1

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