SCHEMBL7337996

SCHEMBL7337996

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(=N)N)cc3Br)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR3 P49682 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
CDK9 P50750 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34

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 SCHEMBL7339516 0.95 ITGB3 (0.49) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL7347695 0.91 ITGB3 (0.42) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL7343054 0.90 ITGB3 (0.53) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL9367388 0.86 ITGB3 (0.49) ITGB3ITGA2BALOX15GAAALOX12
SCHEMBL7344150 0.86 ITGB3 (0.69) ITGB3ITGA2BALOX15CXCR3MBTD1
Trifluoroacetic Acid SCHEMBL7339240 0.85 ITGB3 (0.51) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL7345347 0.85 ITGB3 (0.71) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7306124 0.84 ITGB3 (0.39) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL7306131 0.84 ITGB3 (0.39) ITGB3ITGA2BALOX15OPRM1OPRL1
SCHEMBL7338006 0.81 GAA (0.37) ITGB3ITGA2BALOX15OPRM1OPRL1

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 6 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
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