SCHEMBL7688324

SCHEMBL7688324

N=C(c1ccc(C2=NOC(CN3CCC(OCC(=O)O)CC3)C2)cc1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.41
ITGA2B P08514 13/20 0.41
RAB9A P51151 1/20 0.40
ITGB2 P05107 1/20 0.39
ITGAM P11215 1/20 0.39
MIF P14174 5/20 0.39
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7666290 0.86 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7674119 0.86 ITGB3 (0.54) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7527828 0.85 ITGB3 (0.42) ITGB3ITGA2BRAB9AITGB2ITGAM
SCHEMBL7534732 0.83 ITGB3 (0.43) ITGB3ITGA2BRAB9AITGB2ITGAM
SCHEMBL7670581 0.82 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7670126 0.81 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7382296 0.81 MIF (0.38) ITGB3ITGA2BRAB9AMIFHDAC6
SCHEMBL7668031 0.81 MIF (0.38) ITGB3ITGA2BRAB9AMIFHDAC6
SCHEMBL7661330 0.80 MIF (0.52) ITGB3ITGA2BRAB9AMIFHDAC6
SCHEMBL7672114 0.80 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMMIF

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-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed