SCHEMBL7404198

SCHEMBL7404198

CCCCS(=O)(=O)NCC1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F10 P00742 7/20 0.41
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7403455 0.84 ITGB3 (0.60) ITGB3ITGA2BALDH1A1MAPTKDM4E
SCHEMBL7400379 0.82 ITGB3 (0.51) ITGB3ITGA2BALDH1A1MAPTKDM4E
SCHEMBL7396524 0.81 MEN1 (0.53) ITGB3ITGA2BALDH1A1KDM4EF10
SCHEMBL7393627 0.78 HRH3 (0.47) ITGB3ITGA2B
SCHEMBL7393626 0.75 ITGB3 (0.57) ITGB3ITGA2BALDH1A1MAPTKDM4E
SCHEMBL7399572 0.74 MAPT (0.46) ITGB3ITGA2BALDH1A1MAPTKDM4E
SCHEMBL7400469 0.74 TBXA2R (0.45) ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7402198 0.73 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7402405 0.73 ALDH1A1 (0.53) ITGB3ITGA2BALDH1A1MAPTKDM4E
SCHEMBL7399968 0.73 HTR1A (0.48) ITGB3ITGA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed