SCHEMBL9340322

SCHEMBL9340322

CCCCC(CO)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SIGMAR1 Q99720 1/20 0.35
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A1 P30531 2/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A13 Q9NSD5 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
SCHEMBL23709494 0.90 CPN1 (0.40) CPN1CPB2SIGMAR1DPP7HTR2A
SCHEMBL13285534 0.87 CPN1 (0.38) CPN1CPB2SIGMAR1DPP7HTR2A
SCHEMBL26489011 0.85 CPN1 (0.37) CPN1CPB2SIGMAR1HTR2A
SCHEMBL22193261 0.83 CPN1 (0.38) CPN1CPB2HTR2A
SCHEMBL21725498 0.83 CPN1 (0.38) CPN1CPB2HTR2A
SCHEMBL20998420 0.83 CPN1 (0.38) CPN1CPB2HTR2A
SCHEMBL22193247 0.83 CPN1 (0.38) CPN1CPB2HTR2A
SCHEMBL29332276 0.82 CPN1 (0.49) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL29333056 0.82 CPN1 (0.49) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL23469399 0.82 CPN1 (0.37) CPN1CPB2SIGMAR1HTR2AKCNH2

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-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed