SCHEMBL7338583

SCHEMBL7338583

CC1CN(c2ccc(C=NN)cc2)CCN1C1CCN(CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ALOX15 P16050 1/20 0.44
CXCR3 P49682 16/20 0.40
S1PR1 P21453 1/20 0.36
HRH3 Q9Y5N1 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
Trifluoroacetic Acid SCHEMBL9372102 0.94 ITGB3 (0.41) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL9372072 0.94 ITGB3 (0.41) ITGB3ITGA2BALOX15CXCR3
SCHEMBL7343666 0.87 CXCR3 (0.37) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL7344235 0.84 CXCR3 (0.35) ITGB3ITGA2BALOX15CXCR3
SCHEMBL6839450 0.83 ITGB3 (0.65) ITGB3ITGA2BALOX15S1PR1HRH3
Methane SCHEMBL7337948 0.82 ITGB3 (0.64) ITGB3ITGA2BALOX15S1PR1HRH3
SCHEMBL7338567 0.81 ITGB3 (0.69) ITGB3ITGA2BALOX15CXCR3
Hydrochloric Acid SCHEMBL8431413 0.81 ALOX15 (0.64) ITGB3ITGA2BALOX15S1PR1HRH3
SCHEMBL7341898 0.79 ITGB3 (0.47) ITGB3ITGA2BALOX15S1PR1
SCHEMBL7346457 0.78 ITGB3 (0.45) ITGB3ITGA2BALOX15CXCR3S1PR1

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