SCHEMBL7345122

SCHEMBL7345122

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C=NN)nc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41
HRH3 Q9Y5N1 5/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
EGFR P00533 1/20 0.34
PIK3CA P42336 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7342139 0.95 ITGB3 (0.40) ITGB3ITGA2BALOX15HRH3WNT1
SCHEMBL7345353 0.86 ITGB3 (0.47) ITGB3ITGA2BALOX15HRH3GPR119
SCHEMBL7344621 0.86 ITGB3 (0.56) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7299587 0.85 HRH3 (0.36) HRH3GPR119KMT2AMEN1EGFR
SCHEMBL7346600 0.83 MEN1 (0.37) ITGB3ITGA2BALOX15HRH3WNT1
SCHEMBL7344852 0.81 ITGB3 (0.45) ITGB3ITGA2BALOX15HRH3WNT1
SCHEMBL7345105 0.81 ITGB3 (0.52) ITGB3ITGA2BALOX15HRH3WNT1
SCHEMBL9373233 0.79 ITGB3 (0.46) ITGB3ITGA2BALOX15HRH3GPR119
Trifluoroacetic Acid SCHEMBL7344936 0.78 PPARG (0.36) ITGB3ITGA2BALOX15HRH3WNT1
SCHEMBL7338384 0.78 ITGB3 (0.54) ITGB3ITGA2BALOX15HRH3GPR119

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