SCHEMBL15670400

SCHEMBL15670400

CC(C)C[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
MME P08473 1/20 0.56
OPRD1 P41143 9/20 0.54
OPRM1 P35372 6/20 0.53
OPRK1 P41145 2/20 0.53
ACE P12821 1/20 0.52

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
SCHEMBL22229862 1.00 LTA4H (0.57) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL13878268 1.00 LTA4H (0.57) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL30890866 0.92 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL4751778 0.91 LTA4H (0.56) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL29692598 0.90 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL30051567 0.90 MMP8 (0.56) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL28130929 0.89 OPRD1 (0.56) LTA4HOPRD1OPRM1OPRK1
SCHEMBL24235664 0.89 LTA4H (0.62) LTA4HMMEOPRD1
SCHEMBL29350735 0.88 OPRD1 (0.58) MMEOPRD1OPRM1OPRK1ACE
SCHEMBL29569076 0.88 MME (0.54) MMEOPRD1OPRM1OPRK1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914600-A2 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2015-09-09 EP claimed
WO-2014067960-A9 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-07-09 WO claimed
WO-2014067960-A2 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-08 WO claimed
EP-2914600-A2 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2015-09-09 EP disclosed
WO-2014067960-A9 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-07-09 WO disclosed
WO-2014067960-A2 FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-08 WO disclosed