SCHEMBL27482017

SCHEMBL27482017

CCC(=O)C(=O)Oc1cncs1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL6245943 0.82 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2TRPM8PARP15
SCHEMBL27487201 0.81 HTT (0.33)
SCHEMBL27660661 0.76 ALOX15 (0.39) NPC1RAB9ASMN1; SMN2TRPM8PARP15
SCHEMBL6642025 0.76
SCHEMBL185066 0.74
SCHEMBL28661586 0.73 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL5229371 0.72
SCHEMBL4233726 0.68 THRB (0.34) RAB9A
SCHEMBL25840171 0.68 PARP15 (0.36) NPC1RAB9ASMN1; SMN2TRPM8PARP15
SCHEMBL27984234 0.68 PARP15 (0.42) TRPM8PARP15PARP10TDP1

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
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed