SCHEMBL7464376

SCHEMBL7464376

NC(=S)NCC1CCC(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
KMT2A Q03164 3/20 0.48
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CCR3 P51677 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22540303 0.84 TDP1 (0.61) KMT2AGBA1ALDH1A1MEN1MAPT
SCHEMBL7464373 0.80 MAPT (0.38) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL1960773 0.78
SCHEMBL1593852 0.78 PTGES (0.47) KMT2AALDH1A1MEN1KDM4E
SCHEMBL5123336 0.78 PTGES (0.47) KMT2AALDH1A1MEN1KDM4E
SCHEMBL674276 0.76 GBA1 (0.71) MGLLGBA1ALDH1A1PRMT3CARM1
SCHEMBL2027845 0.76 GBA1 (0.71) MGLLGBA1ALDH1A1PRMT3CARM1
SCHEMBL1593854 0.75 TSHR (0.66) KMT2AALDH1A1MEN1
SCHEMBL5392371 0.75 TSHR (0.66) KMT2AALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL1432566 0.74 GBA1 (0.68) MGLLGBA1ALDH1A1PRMT3CARM1

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