SCHEMBL5822108

SCHEMBL5822108

CC(C)CCN1C(=O)c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.55
▸ GBA1 P04062 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPY2R P49146 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL5816127 0.88 SCD (0.52) SCDGBA1MEN1KMT2ANPY2R
SCHEMBL5821701 0.87 SCD (0.54) SCDGBA1MEN1KMT2ANPY2R
SCHEMBL5821508 0.86 SCD (0.49) SCDGBA1MEN1KMT2ANPY2R
SCHEMBL5821234 0.86 SCD (0.58) SCDGBA1
SCHEMBL5818660 0.85 SCD (0.53) SCDGBA1MEN1KMT2ANPY2R
SCHEMBL5816957 0.84 SCD (0.55) SCDGBA1MEN1KMT2A
SCHEMBL5822275 0.81 SCD (0.52) SCDGBA1MEN1KMT2AMAPK1
SCHEMBL5821442 0.80 MAPK1 (0.55) SCDGBA1MEN1KMT2AMAPK1
SCHEMBL5821751 0.79 MGLL (0.51) SCDGBA1MEN1KMT2ANPY2R
SCHEMBL5820078 0.79 SCD (0.52) SCDGBA1MEN1KMT2ANPY2R

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-2006125180-A1 PIPERAZINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 — — WO disclosed
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