SCHEMBL7474500

SCHEMBL7474500

CNC(=S)NC1CCC(C(N)S(=O)(=O)N(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
PTPN7 P35236 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL6201284 0.85 SMYD3 (0.31) ALDH1A1PTPN7KDM4EDUSP3
SCHEMBL6201280 0.85 SMYD3 (0.31) ALDH1A1PTPN7KDM4EDUSP3
SCHEMBL1544580 0.72
SCHEMBL7470106 0.72 DPP4 (0.30)
SCHEMBL4265226 0.68 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2POLBRECQLCYP2D6
SCHEMBL4266940 0.68 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2POLBRECQLCYP2D6
SCHEMBL14564699 0.64 CYP3A4 (0.68) ALDH1A1SMN1; SMN2POLBCYP2D6RAB9A
SCHEMBL8396968 0.64
SCHEMBL8395652 0.63 CYP3A4 (0.73) ALDH1A1DUSP3SMN1; SMN2POLBRAB9A
SCHEMBL19705886 0.63 CYP3A4 (0.73) ALDH1A1DUSP3SMN1; SMN2POLBRAB9A

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