SCHEMBL14023963

SCHEMBL14023963

N[C@H](CF)[C@H](O)c1ccc(N2CC[C@H](F)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ NOTUM Q6P988 4/20 0.35
▸ ACACB O00763 5/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ WDR91 A4D1P6 1/20 0.32
▸ RORC P51449 2/20 0.31
▸ HIF1A Q16665 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
SCHEMBL19937334 0.83 DPP4 (0.44) DPP4DPP7KCNH2DPP8DPP9
SCHEMBL15628549 0.80 DPP4 (0.35) DPP4DPP7ACACB
SCHEMBL15628606 0.80 DPP4 (0.35) DPP4DPP7ACACB
SCHEMBL14025094 0.78 GSK3B (0.41) RORCHIF1A
SCHEMBL14024886 0.77 ADRB1 (0.44) —
SCHEMBL14025102 0.75 KDM4E (0.47) DPP4RORC
SCHEMBL14023957 0.74 DPP4 (0.36) DPP4DPP7NOTUMDPP8DPP9
SCHEMBL14023952 0.74 DPP4 (0.36) DPP4DPP7NOTUMDPP8DPP9
SCHEMBL25017269 0.72 HRH3 (0.45) DPP4DPP7NOTUMACACB
SCHEMBL25016625 0.72 HRH3 (0.45) DPP4DPP7NOTUMACACB

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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