SCHEMBL7380393

SCHEMBL7380393

CCOC(=O)N1CCN(c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.68
PTPN1 P18031 1/20 0.68
PTPN6 P29350 1/20 0.68
MAPT P10636 4/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
HTT P42858 1/20 0.62
ABL1 P00519 2/20 0.60
RIN1 Q13671 2/20 0.60
MEN1 O00255 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GPR119 Q8TDV5 7/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NAMPT P43490 1/20 0.57
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL7372038 0.86 PTPN2 (0.67) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL7374612 0.86 PTPN2 (0.53) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL7374606 0.86 PTPN2 (0.53) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL7374604 0.86 PTPN2 (0.53) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL8144011 0.85 PTPN2 (0.62) PTPN2PTPN1PTPN6MAPTLMNA
Acetic Acid SCHEMBL8143914 0.85 PTPN2 (0.65) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL7379718 0.85 PTPN2 (0.64) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL7376708 0.85 MAPT (0.60) MAPTLMNAKMT2ATDP1HTT
SCHEMBL7375251 0.85 PTPN2 (0.61) PTPN2PTPN1PTPN6MAPTLMNA
SCHEMBL8135248 0.84 MAPT (0.60) MAPTLMNAKMT2ATDP1HTT

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