SCHEMBL8446598

SCHEMBL8446598

CC1(NC(=O)CCBr)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.33
LMNA P02545 1/20 0.33
ANO1 Q5XXA6 4/20 0.33
CTSB P07858 2/20 0.33
CTSL P07711 1/20 0.33
DPP4 P27487 2/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSS P25774 1/20 0.31
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8689464 0.82 LMNA (0.49) EPHX2LMNAANO1CTSBCTSL
SCHEMBL24974708 0.82 LMNA (0.49) EPHX2LMNAANO1CTSBCTSL
SCHEMBL12315745 0.81 PHF8 (0.45) EPHX2LMNAANO1CTSBCTSL
SCHEMBL3001083 0.79 EPHX2 (0.37) EPHX2LMNAANO1CTSBCTSL
SCHEMBL8444167 0.78 LMNA (0.35) LMNACTSBCTSLALDH1A1
SCHEMBL12316377 0.78 EPHX2 (0.42) EPHX2LMNAHDAC3HDAC1HDAC6
SCHEMBL5143779 0.78 DPP4 (0.35) LMNAANO1DPP4HDAC3HDAC1
SCHEMBL8684589 0.78 ANO1 (0.37) LMNAANO1DPP4HDAC3HDAC1
SCHEMBL852232 0.78 HDAC3 (0.37) LMNAANO1DPP4HDAC3HDAC1
SCHEMBL13146756 0.77 EPHX2 (0.45) EPHX2LMNAALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP disclosed