SCHEMBL5821701

SCHEMBL5821701

CCCCCN1C(=O)c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.54
▸ GBA1 P04062 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ NPY2R P49146 1/20 0.42
▸ MEN1 O00255 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 0.97 SCD (0.52) SCDGBA1KMT2ANPY2RMEN1
SCHEMBL5821745 0.89 SCD (0.42) SCDKMT2AMEN1MAPK1TSHR
SCHEMBL5822108 0.87 SCD (0.55) SCDGBA1KMT2ANPY2RMEN1
SCHEMBL5818472 0.87 SCD (0.58) SCDGBA1
SCHEMBL5821754 0.86 SCD (0.53) SCDGBA1LMNA
SCHEMBL5821535 0.86 SCD (0.42) SCDKMT2AMEN1MAPK1LMNA
SCHEMBL5821234 0.86 SCD (0.58) SCDGBA1
SCHEMBL5821508 0.86 SCD (0.49) SCDGBA1KMT2ANPY2RMEN1
SCHEMBL5821805 0.85 SCD (0.51) SCDGBA1KMT2AMEN1
SCHEMBL5816785 0.84 SCD (0.57) SCDGBA1

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
Send feedback