SCHEMBL6411463

SCHEMBL6411463

O=C(O)OC1=NOC2(CCN(C(=O)COc3cccc(Cl)c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.56
ENPP2 Q13822 7/20 0.50
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
ATXN2 Q99700 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6410978 0.87 FKBP1A (0.48) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL6411459 0.86 FKBP1A (0.58) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL6413986 0.83 FKBP1A (0.46) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL6416570 0.82 PKM (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2402439 0.79 ALDH1A1 (0.52) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL2399331 0.79 FKBP1A (0.61) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL6419550 0.78 RAB9A (0.54) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2399304 0.76 FKBP1A (0.48) FKBP1AENPP2MAPTMEN1KMT2A
SCHEMBL6411430 0.73 RAB9A (0.47) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL15837602 0.73 MEN1 (0.56) MEN1KMT2APOLBALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed