SCHEMBL7375251

SCHEMBL7375251

COC(=O)CN1CCC(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
PTPN6 P29350 1/20 0.61
NAMPT P43490 1/20 0.54
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 2/20 0.51
GPR119 Q8TDV5 7/20 0.50
ALDH1A1 P00352 2/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 2/20 0.47
NR2F2 P24468 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8144011 0.91 PTPN2 (0.62) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL8147769 0.89 MAPT (0.59) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL8140931 0.86 PTPN2 (0.52) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL7380393 0.85 PTPN2 (0.68) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL7370662 0.83 PTPN2 (0.51) PTPN2PTPN1PTPN6NAMPTABL1
Acetic Acid SCHEMBL8143914 0.82 PTPN2 (0.65) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL8143555 0.82 ALDH1A1 (0.48) ABL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7379718 0.82 PTPN2 (0.64) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL7374084 0.82 PTPN2 (0.64) PTPN2PTPN1PTPN6NAMPTABL1
SCHEMBL7372038 0.82 PTPN2 (0.67) PTPN2PTPN1PTPN6NAMPTABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed