SCHEMBL8655443

SCHEMBL8655443

CN1C(=O)OC(N2CCN(CC(=O)O)CC2)C1CCCCN1CCN(C(=N)N)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RECQL P46063 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
SCHEMBL8656871 0.97 ITGB3 (0.32) ITGB3ITGA2BALOX15LMNAGAA
SCHEMBL8655132 0.93 ITGB3 (0.33) ITGB3ITGA2BALOX15LMNAGAA
SCHEMBL8659526 0.92 ITGB3 (0.35) ITGB3ITGA2BSMN1; SMN2
SCHEMBL8659258 0.92 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8656401 0.90 ITGB3 (0.33) ITGB3ITGA2BALOX15RECQLSMN1; SMN2
SCHEMBL8656289 0.89 OPRL1 (0.33) ITGB3ITGA2B
SCHEMBL8657859 0.89 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8655707 0.89 MAPK1 (0.34) ITGB3ITGA2BSMN1; SMN2
SCHEMBL8655682 0.89 S1PR1 (0.32) RECQLSMN1; SMN2
SCHEMBL8656730 0.88 ITGB3 (0.33) ITGB3ITGA2BALOX15RECQLSMN1; 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