SCHEMBL7950882

SCHEMBL7950882

O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
TGM2 P21980 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR2 O43614 1/20 0.37

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
SCHEMBL7950888 1.00 NAMPT (0.51) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL7955572 0.94 NAMPT (0.48) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL5971671 0.92 NAMPT (0.46) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL9734368 0.92 NAMPT (0.46) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL9736271 0.92 NAMPT (0.46) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL13779905 0.91 NAMPT (0.49) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL9734367 0.91 NAMPT (0.49) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL13779906 0.91 NAMPT (0.49) NAMPTTPSAB1TPSD1TPSG1TGM2
SCHEMBL9735842 0.91 NAMPT (0.46) NAMPTTPSAB1TPSD1TPSG1TGM2
Fasoracetam SCHEMBL23922653 0.91 HPGD (0.47) NAMPTTPSAB1TPSD1TPSG1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194413-B1 VIRICIDES; FUNGICIDES; BACTERICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-27 US claimed
US-6194413-B1 VIRICIDES; FUNGICIDES; BACTERICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-27 US disclosed
EP-0869793-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-03 EP disclosed
EP-0869793-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017973-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed