SCHEMBL8596155

SCHEMBL8596155

O=C(c1ccccc1)N1CCCCC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.62
PARP10 Q53GL7 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
RIPK1 Q13546 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
HSD11B1 P28845 1/20 0.54
SCD5 Q86SK9 4/20 0.53
SCD O00767 2/20 0.53
ROCK2 O75116 1/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
TRPC3 Q13507 1/20 0.49
TRPC6 Q9Y210 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7729871 0.86 TSHR (0.66) PARP14PARP10HSD11B1SCD5SCD
SCHEMBL28408689 0.85 ALDH1A1 (0.54) PARP14PARP10HSP90AA1HSP90AB1HPGD
SCHEMBL16565652 0.85 SCD (0.60) PARP14PARP10L3MBTL1RIPK1HSP90AA1
SCHEMBL4019469 0.85 RIPK1 (0.62) PARP14PARP10RIPK1HSP90AA1HSP90AB1
SCHEMBL27574934 0.85 RIPK1 (0.62) PARP14PARP10RIPK1HSP90AA1HSP90AB1
SCHEMBL216202 0.85 RIPK1 (0.62) PARP14PARP10RIPK1HSP90AA1HSP90AB1
SCHEMBL27574946 0.85 RIPK1 (0.62) PARP14PARP10RIPK1HSP90AA1HSP90AB1
SCHEMBL18286158 0.84 PREP (0.58) PARP14PARP10RIPK1HSD11B1ROCK2
SCHEMBL27261597 0.84 PREP (0.55) PARP14PARP10GAATRPC3TRPC6
SCHEMBL164387 0.84 PARP14 (0.60) PARP14PARP10RIPK1HSP90AA1HSP90AB1

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
EP-0875512-A2 New naphthylpiperazine derivatives with antipsychotic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1998-11-04 EP disclosed