SCHEMBL5821745

SCHEMBL5821745

CCCCCN1C(=O)c2ccc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SLC6A9 P48067 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL5821535 0.97 SCD (0.42) SCDKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5821701 0.89 SCD (0.54) SCDKMT2AMEN1MAPK1TSHR
SCHEMBL5816171 0.87 SCD (0.47) SCDKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5816372 0.87 SCD (0.45) SCDHCRTR1HCRTR2HTTSMN1; SMN2
SCHEMBL5816199 0.86 SCD (0.51) SCDKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5816127 0.86 SCD (0.52) SCDKMT2AMEN1MAPK1TSHR
SCHEMBL5821544 0.85 DRD2 (0.43) SCDKMT2AMEN1MAPK1SLC6A9
SCHEMBL5822072 0.85 SCD (0.49) SCDKMT2AMEN1MAPK1MAPT
SCHEMBL5821224 0.84 SCD (0.46) SCDKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5816215 0.83 HTT (0.48) SCDKMT2AMEN1MAPK1POLB

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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