SCHEMBL7345703

SCHEMBL7345703

N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.71
ITGA2B P08514 7/20 0.71
ALOX15 P16050 1/20 0.69
UBE2T Q9NPD8 1/20 0.53
HRH3 Q9Y5N1 7/20 0.51
CXCR3 P49682 1/20 0.45
ADRA1A P35348 1/20 0.40
HDAC1 Q13547 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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 SCHEMBL7339460 0.94 ITGB3 (0.63) ITGB3ITGA2BALOX15UBE2THRH3
SCHEMBL7346577 0.85 ITGB3 (0.52) ITGB3ITGA2BALOX15UBE2THRH3
SCHEMBL7339480 0.83 ITGB3 (0.50) ITGB3ITGA2BALOX15UBE2THRH3
SCHEMBL6839445 0.83 ITGB3 (1.00) ITGB3ITGA2BALOX15
Trifluoroacetic Acid SCHEMBL7344932 0.82 ITGB3 (0.49) ITGB3ITGA2BALOX15UBE2THRH3
Hydrochloric Acid SCHEMBL8431411 0.81 ALOX15 (0.98) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL9175583 0.81 UBE2T (0.51) ITGB3ITGA2BALOX15UBE2THRH3
SCHEMBL7381654 0.80 UBE2T (0.51) ITGB3ITGA2BALOX15UBE2TOPRM1
SCHEMBL19600734 0.80 HRH3 (0.62) ITGB3ITGA2BALOX15HRH3ADRA1A
SCHEMBL7345723 0.80 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3CXCR3

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 7 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 claimed
CN-1090273-A Acetogenin GLAXO GROUP LTD (GB) 1994-08-03 CN claimed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO claimed
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