SCHEMBL7376708

SCHEMBL7376708

CCOC(=O)N1CCN(c2ccc(NC(=O)C3CCNCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
HTT P42858 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ABL1 P00519 1/20 0.53
POLB P06746 1/20 0.53
RIN1 Q13671 1/20 0.53
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL7380393 0.85 PTPN2 (0.68) MAPTLMNAHTTTDP1KMT2A
Acetic Acid SCHEMBL7374080 0.84 PTPN2 (0.60) MAPTLMNAKMT2AABL1RIN1
SCHEMBL8135248 0.84 MAPT (0.60) MAPTLMNAHTTTDP1KMT2A
SCHEMBL8147771 0.83 MAPT (0.59) MAPTLMNAHTTTDP1KMT2A
SCHEMBL8147769 0.83 MAPT (0.59) MAPTLMNAHTTTDP1KMT2A
Acetic Acid SCHEMBL7374818 0.80 ALDH1A1 (0.55) MAPTKMT2AGAAKDM4EABL1
SCHEMBL8135054 0.80 LMNA (0.49) MAPTLMNAHTTTDP1KMT2A
SCHEMBL7405463 0.80 ALDH1A1 (0.50) MAPTKMT2AABL1MAPK1ALDH1A1
Acetic Acid SCHEMBL7376666 0.79 RAB9A (0.53) MAPTKMT2AGAAABL1ALDH1A1
SCHEMBL533096 0.78 ALDH1A1 (0.62) MAPTLMNAKMT2AGAAABL1

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