SCHEMBL8655962

SCHEMBL8655962

COC(=O)CN1CCN(C2OC(=O)N(C)C2CCC2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.34
TPSD1 Q9BZJ3 6/20 0.34
TPSG1 Q9NRR2 6/20 0.34
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 3/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F10 P00742 1/20 0.30
PRSS1 P07477 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
SCHEMBL8655367 0.94 TPSAB1 (0.33) TPSAB1TPSD1TPSG1PKMRECQL
SCHEMBL8654586 0.94 TPSAB1 (0.33) TPSAB1TPSD1TPSG1PKMRECQL
SCHEMBL8656251 0.90 SMN1; SMN2 (0.34) TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL8658063 0.89 ITGB3 (0.34) TPSAB1TPSD1TPSG1PKMRECQL
SCHEMBL8660886 0.89 ITGB3 (0.32) PKMRECQLSMN1; SMN2ITGB3ITGA2B
SCHEMBL8655698 0.88 GAA (0.32) PKMSMN1; SMN2ITGB3ITGA2B
SCHEMBL8656289 0.87 OPRL1 (0.33) ITGB3ITGA2B
SCHEMBL8661310 0.86 SMN1; SMN2 (0.39) TPSAB1TPSD1TPSG1SMN1; SMN2F2
SCHEMBL8655580 0.86 SMN1; SMN2 (0.39) TPSAB1TPSD1TPSG1SMN1; SMN2F2
SCHEMBL8661852 0.85 SMN1; SMN2 (0.34) TPSAB1TPSD1TPSG1SMN1; SMN2F2

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