SCHEMBL7464373

SCHEMBL7464373

NC(=S)NCC1CC[C](Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
CXCR4 P61073 1/20 0.35
EPHX1 P07099 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7464376 0.80 MGLL (0.49) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1593852 0.71 PTGES (0.47) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL5123336 0.71 PTGES (0.47) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL1960773 0.71
SCHEMBL16434184 0.69 MTNR1A (0.41) MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1593854 0.69 TSHR (0.66) CTSLKMT2AMEN1ALDH1A1GAA
SCHEMBL5392371 0.69 TSHR (0.66) CTSLKMT2AMEN1ALDH1A1GAA
SCHEMBL6847027 0.69 DRD2 (0.47) MAPTL3MBTL1
SCHEMBL28384985 0.68 GBA1 (0.50) SIGMAR1
SCHEMBL8391864 0.67 TDP1 (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; 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-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed