SCHEMBL7345204

SCHEMBL7345204

COC(=O)NC(=N)c1ccc(N2CCN(C3CCN(CC(=O)OC(=O)C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALOX15 P16050 1/20 0.49
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MBTD1 Q05BQ5 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7340673 0.89 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7340652 0.87 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7345194 0.87 ITGB3 (0.62) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7342517 0.86 ITGB3 (0.53) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7336167 0.86 ITGB3 (0.69) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7334894 0.85 ITGB3 (0.69) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7341525 0.79 ITGB3 (0.49) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7337516 0.77 ITGB3 (0.64) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL8034391 0.77 ITGB3 (0.43) ITGB3ITGA2BALOX15HRH3ALDH1A1
SCHEMBL7347541 0.76 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1

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
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