SCHEMBL7345353

SCHEMBL7345353

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C=NN)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALOX15 P16050 1/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL9373233 0.91 ITGB3 (0.46) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7344483 0.88 ITGB3 (0.48) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7346600 0.87 MEN1 (0.37) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7343064 0.87 GAA (0.39) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7343251 0.86 MEN1 (0.39) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7345122 0.86 ITGB3 (0.41) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7343666 0.86 CXCR3 (0.37) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7338006 0.86 GAA (0.37) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7341382 0.85 ITGB3 (0.46) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL6839450 0.84 ITGB3 (0.65) ITGB3ITGA2BALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP claimed
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
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed