SCHEMBL13617101

SCHEMBL13617101

CC(C)(C)OC(=O)NCc1cccc(C2CCN(C(=O)c3ccc(Cc4ccccc4F)o3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GNRHR P30968 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
F10 P00742 1/20 0.40
TPSAB1 Q15661 5/20 0.39
TP53 P04637 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 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
SCHEMBL8348734 0.86 PDE4B (0.45) KMT2ASMN1; SMN2F10TPSAB1
SCHEMBL302010 0.85 F10 (0.51) KMT2AF10TPSAB1TP53NAMPT
SCHEMBL12919536 0.83 F10 (0.41) ALDH1A1F10TPSAB1TP53NAMPT
SCHEMBL301585 0.83 MEN1 (0.46) ALDH1A1KMT2AMAPTF10TPSAB1
SCHEMBL15866724 0.80 ACHE (0.49) TPSAB1
SCHEMBL12919537 0.79 F10 (0.53) ALDH1A1LMNAKMT2AMAPTF10
SCHEMBL13830591 0.77 QDPR (0.45) LMNATPSAB1TP53NAMPT
SCHEMBL14898046 0.76 NPC1L1 (0.44) TPSAB1NAMPT
SCHEMBL13830794 0.76 TPSAB1 (0.44) ALDH1A1KMT2ATPSAB1MEN1
SCHEMBL14879910 0.76 L3MBTL3 (0.44) TPSAB1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed