SCHEMBL13158337

SCHEMBL13158337

CC(F)(F)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
CYP3A4 P08684 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HSD11B1 P28845 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.38
DEGS1 O15121 1/20 0.38

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
SCHEMBL61425 0.86 NOTUM (0.58) NOTUMMEN1ALDH1A1MAPTKMT2A
SCHEMBL16285249 0.86 HRH3 (0.52) ALDH1A1MAPTHRH3CA12CA2
Ethane SCHEMBL8133601 0.77 NOTUM (0.51) NOTUMMEN1ALDH1A1MAPTKMT2A
SCHEMBL28295817 0.77 MAPT (0.52) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL26798770 0.76 AR (0.46) NOTUMALDH1A1MAPTHRH3HSD11B1
SCHEMBL1410143 0.76 NOTUM (0.63) NOTUMMEN1ALDH1A1MAPTKMT2A
SCHEMBL169776 0.76 ADRB1 (0.53) MEN1ALDH1A1MAPTKMT2AUSP2
SCHEMBL5538409 0.76 NOTUM (0.54) NOTUMALDH1A1MAPTHRH3CA12
SCHEMBL1244796 0.75 FFAR4 (0.50) NOTUM
Hydrochloric Acid SCHEMBL27929442 0.74 NOTUM (0.53) NOTUMALDH1A1MAPTHRH3CA12

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
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed