SCHEMBL8655349

SCHEMBL8655349

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.43
ITGA2B P08514 17/20 0.43
ITGA2 P17301 1/20 0.34
GNAO1 P09471 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL8659051 0.90 ACHE (0.33) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL8655832 0.86 HTR7 (0.37)
SCHEMBL8658434 0.86 HTR7 (0.32)
SCHEMBL8655554 0.85 GLA (0.30)
SCHEMBL8655420 0.84 S1PR5 (0.37) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL8655681 0.84 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8658526 0.83 LTA4H (0.46) FAAH
SCHEMBL8655432 0.82 TPSAB1 (0.33) ITGB3ITGA2B
SCHEMBL8656240 0.82 PKM (0.35)
SCHEMBL8661788 0.82

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