SCHEMBL14023957

SCHEMBL14023957

N[C@H](CF)Cc1ccc(N2CC[C@@H](F)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ DPP8 Q6V1X1 4/20 0.34
▸ DPP9 Q86TI2 4/20 0.34
▸ FAP Q12884 3/20 0.34
▸ DPP7 Q9UHL4 3/20 0.34
▸ NOTUM Q6P988 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ L3MBTL3 Q96JM7 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ BPTF Q12830 1/20 0.31
▸ MBTD1 Q05BQ5 1/20 0.31
▸ TP53BP1 Q12888 1/20 0.31

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
SCHEMBL14023952 1.00 DPP4 (0.36) DPP4MCHR1DPP8DPP9FAP
SCHEMBL19063266 0.78 ALDH1A1 (0.46) L3MBTL1
SCHEMBL14024029 0.78 SLC6A4 (0.33) DPP4DPP8DPP9FAPSLC6A4
SCHEMBL14025104 0.77 ACACB (0.43) L3MBTL1
SCHEMBL19062611 0.76 ADRB1 (0.46) DPP4
SCHEMBL14025098 0.76 ADRB1 (0.46) DPP4
SCHEMBL14023963 0.74 DPP4 (0.37) DPP4DPP8DPP9DPP7NOTUM
SCHEMBL19937334 0.74 DPP4 (0.44) DPP4DPP8DPP9DPP7
SCHEMBL14025103 0.73 KDM4E (0.45) DPP4DPP7
SCHEMBL19302976 0.72 MAPT (0.52) NOTUML3MBTL3L3MBTL1

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
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