SCHEMBL6132848

SCHEMBL6132848

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCC(c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.69
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
NAMPT P43490 2/20 0.56
TP53 P04637 2/20 0.52
PDK2 Q15119 1/20 0.50

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
SCHEMBL3843148 0.88 NAMPT (0.66) GPR119MAPTLMNANAMPTTP53
SCHEMBL5462598 0.86 GPR119 (0.58) GPR119MAPTLMNAALDH1A1NAMPT
SCHEMBL31198857 0.86 GPR119 (0.57) GPR119MAPTLMNAALDH1A1NAMPT
Acetic Acid SCHEMBL29880486 0.85 NAMPT (0.63) GPR119MAPTLMNANAMPTTP53
SCHEMBL1458887 0.85 GPR119 (0.76) GPR119MAPTLMNAALDH1A1NAMPT
SCHEMBL1673519 0.85 GPR119 (0.63) GPR119MAPTLMNAALDH1A1NAMPT
Dimethylamine SCHEMBL6608623 0.84 NAMPT (0.65) GPR119MAPTLMNANAMPTTP53
SCHEMBL30366165 0.84 GPR119 (0.56) GPR119MAPTLMNAALDH1A1NAMPT
SCHEMBL5573222 0.84 MAPT (0.76) GPR119MAPTLMNAALDH1A1NAMPT
SCHEMBL5542227 0.83 GPR119 (0.65) GPR119MAPTLMNAALDH1A1NAMPT

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed