SCHEMBL9209965

SCHEMBL9209965

CCNC(=S)[C@]1(c2cccnc2)CCCC[C@H]1CCNS(=O)(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
P2RX7 Q99572 3/20 0.33
NPY5R Q15761 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
IDO1 P14902 1/20 0.32
ITGA4 P13612 2/20 0.31
ITGB7 P26010 2/20 0.31
NAMPT P43490 3/20 0.31
CYP1A2 P05177 1/20 0.30
GRIA2 P42262 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9217244 1.00 GAA (0.35) GAASLC6A2SLC6A4P2RX7NPY5R
SCHEMBL9212001 0.91 NPY5R (0.34) GAASLC6A2SLC6A4P2RX7NPY5R
SCHEMBL9217487 0.91 NPY5R (0.34) GAASLC6A2SLC6A4P2RX7NPY5R
SCHEMBL9212826 0.89 MAPK1 (0.38) GAASLC6A2SLC6A4P2RX7SMN1; SMN2
SCHEMBL9211996 0.87 MAPK1 (0.41) GAASLC6A2SLC6A4P2RX7SMN1; SMN2
SCHEMBL9212254 0.87 MAPK1 (0.41) GAASLC6A2SLC6A4P2RX7SMN1; SMN2
SCHEMBL9219317 0.85 L3MBTL1 (0.37) GAASMN1; SMN2NAMPTLMNATSHR
SCHEMBL9219315 0.85 L3MBTL1 (0.37) GAASMN1; SMN2NAMPTLMNATSHR
SCHEMBL9216674 0.82 SLC6A2 (0.36) GAASLC6A2SLC6A4P2RX7SMN1; SMN2
SCHEMBL9211543 0.82 P2RX7 (0.34) GAASLC6A2SLC6A4P2RX7SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP claimed
US-5364853-A Treatment of disorders associated with vascular, respiratory, gastrointestinal tract, urinary bladder or uterus smooth muscle contraction RHONE-POULENC RORER LIMITED (GB) 1994-11-15 US claimed
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP disclosed
WO-1991010652-A1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1991-07-25 WO disclosed