SCHEMBL8655432

SCHEMBL8655432

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCCC1CCN(C(=N)N)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
ITGB3 P05106 5/20 0.32
ITGA2B P08514 5/20 0.32
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD4 P21917 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
HDAC3 O15379 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
SCHEMBL8655681 0.98 ITGB3 (0.34) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8657674 0.95 CHRM1 (0.34) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8656718 0.94 TPSAB1 (0.34) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8656430 0.94 ITGB3 (0.35) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8656401 0.91 ITGB3 (0.33) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8659258 0.91 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8657293 0.91 ITGB3 (0.34) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8657859 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8661310 0.90 SMN1; SMN2 (0.39) TPSAB1TPSD1TPSG1DRD2
SCHEMBL8656730 0.90 ITGB3 (0.33) TPSAB1TPSD1TPSG1ITGB3ITGA2B

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