SCHEMBL4670838

SCHEMBL4670838

CNC(=O)OC1(CN(C(=O)c2ccccc2)c2ccc(Cl)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.37
KCNQ2 O43526 3/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
FFAR2 O15552 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGIR P43119 2/20 0.34
MAPKAPK2 P49137 2/20 0.34
TSHR P16473 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
OXTR P30559 1/20 0.32

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
SCHEMBL4670355 0.81 ALDH1A1 (0.38) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA
SCHEMBL4818540 0.78 L3MBTL1 (0.39) KCNQ3KCNQ2KMT2ASMN1; SMN2MEN1
SCHEMBL4818544 0.78 KMT2A (0.41) KCNQ3KCNQ2KMT2ASMN1; SMN2MEN1
SCHEMBL7667371 0.65 MEN1 (0.49) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA
SCHEMBL27699361 0.65 CTSK (0.51) KMT2AMEN1
SCHEMBL7660392 0.63 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL4825587 0.62 ALDH1A1 (0.43) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA
SCHEMBL4672795 0.62 MEN1 (0.34) KMT2AMEN1LMNAALDH1A1
SCHEMBL7664945 0.62 ROCK2 (0.44) KMT2AMEN1L3MBTL1LMNAFFAR2
SCHEMBL4824601 0.62 MEN1 (0.44) KMT2ASMN1; SMN2MEN1L3MBTL1LMNA

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-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP disclosed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP disclosed