SCHEMBL8655698

SCHEMBL8655698

COC(=O)CN1CCN(C2OC(=O)N(C)C2CCCN2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PKM P14618 1/20 0.31
OPRL1 P41146 1/20 0.31
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8656289 0.97 OPRL1 (0.33) OPRL1ITGB3ITGA2B
SCHEMBL8660886 0.94 ITGB3 (0.32) GAAPKMITGB3ITGA2BKDM1A
SCHEMBL8659278 0.92 SMN1; SMN2 (0.39) GAAHRH2HRH1ALDH1A1KDM1A
SCHEMBL8655456 0.92 SMN1; SMN2 (0.34) GAAHRH2HRH1ALDH1A1KDM1A
SCHEMBL8654586 0.90 TPSAB1 (0.33) PKMSMN1; SMN2
SCHEMBL8655367 0.90 TPSAB1 (0.33) PKMSMN1; SMN2
SCHEMBL8658988 0.90 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL8655360 0.90 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8656871 0.89 ITGB3 (0.32) GAAPKMITGB3ITGA2BALDH1A1
SCHEMBL8659077 0.89 GAA (0.34) GAAOPRL1ALDH1A1

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