SCHEMBL27779690

SCHEMBL27779690

O=C(COC(=O)C(F)(F)F)Nc1nc(C(F)(F)F)n2c1CNCC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL27779691 0.77 UHRF1 (0.34) —
Hydrochloric Acid SCHEMBL27800625 0.76 TP53 (0.31) —
Hydrochloric Acid SCHEMBL27779136 0.75 LMNA (0.42) —
Hydrochloric Acid SCHEMBL27779199 0.72 NPC1 (0.39) MEN1KMT2A
SCHEMBL10025558 0.72 DPP4 (0.43) MEN1KMT2ADPP4
SCHEMBL31699802 0.71 ALDH1A1 (0.43) MEN1KMT2ADPP4
SCHEMBL14955967 0.71 HTR2A (0.33) —
Hydrochloric Acid SCHEMBL27779214 0.70 — —
SCHEMBL10025712 0.70 SCN9A (0.33) DPP4
SCHEMBL2858951 0.70 HTR2A (0.32) DPP4

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
CN-101641360-A Piperazine derivatives, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 — — CN disclosed
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