SCHEMBL9367305

SCHEMBL9367305

CC(C)COC(=O)CN1CCC(N2CCN(c3ccc(C(N)=NO)cn3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
CXCR3 P49682 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.39
ADRA1A P35348 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
SCHEMBL7342461 0.86 HRH3 (0.44) HRH3CXCR3ITGB3ITGA2BNPC1
SCHEMBL7342470 0.86 HRH3 (0.44) HRH3CXCR3ITGB3ITGA2BNPC1
SCHEMBL7346577 0.75 ITGB3 (0.52) HRH3CXCR3ITGB3ITGA2BALOX15
SCHEMBL7346169 0.74 UBE2T (0.43) HRH3ITGB3ITGA2BNPC1RAB9A
SCHEMBL9367388 0.73 ITGB3 (0.49) HRH3CXCR3ITGB3ITGA2BGAA
Trifluoroacetic Acid SCHEMBL7344932 0.72 ITGB3 (0.49) HRH3CXCR3ITGB3ITGA2BALOX15
SCHEMBL7345703 0.72 ITGB3 (0.71) HRH3CXCR3ITGB3ITGA2BALOX15
SCHEMBL7339480 0.71 ITGB3 (0.50) HRH3CXCR3ITGB3ITGA2BALOX15
SCHEMBL7338379 0.71 ITGB3 (0.54) HRH3ITGB3ITGA2BALOX15
SCHEMBL7338384 0.71 ITGB3 (0.54) HRH3ITGB3ITGA2BALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP disclosed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO disclosed