SCHEMBL7425344

SCHEMBL7425344

COC(=O)[C@@H]1CN(CCc2ccccc2Sc2ccccc2C#N)C[C@H]1c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 1/20 0.39
F10 P00742 6/20 0.37
PRSS1 P07477 4/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CCR3 P51677 1/20 0.35
USP2 O75604 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
SCHEMBL7425321 1.00 MEN1 (0.40) MEN1MAPTKMT2ANPSR1MCHR1
SCHEMBL7425327 1.00 MEN1 (0.40) MEN1MAPTKMT2ANPSR1MCHR1
SCHEMBL6983678 0.92 MEN1 (0.41) MEN1MAPTKMT2ANPSR1F10
SCHEMBL6985341 0.92 MEN1 (0.41) MEN1MAPTKMT2ANPSR1F10
SCHEMBL6983679 0.92 MEN1 (0.41) MEN1MAPTKMT2ANPSR1F10
SCHEMBL6978936 0.80 ALDH1A1 (0.48) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL6978940 0.80 ALDH1A1 (0.48) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL6978933 0.80 ALDH1A1 (0.48) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL6978851 0.80 F10 (0.54) F10PRSS1
SCHEMBL6978845 0.80 F10 (0.54) F10PRSS1

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-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed