SCHEMBL9340447

SCHEMBL9340447

CCCCC(O)CC1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
CYP2D6 P10635 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL29507344 0.90 SLC6A2 (0.49) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11705851 0.81 CYP2D6 (0.50) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2232026 0.77 CYP2D6 (0.53) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL20780613 0.77 SLC6A2 (0.46) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL24355747 0.77 SLC6A2 (0.46) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22857494 0.76 DPP7 (0.41) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21725461 0.76 DPP7 (0.41) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21162747 0.75 FDPS (0.45) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL16581667 0.75 SLC6A2 (0.45) FDPSSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11766053 0.75 SLC6A2 (0.45) FDPSSLC6A2SLC6A4SLC6A3CYP2D6

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 2 patents. 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
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed