SCHEMBL4037689

SCHEMBL4037689

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
EPHX2 P34913 3/20 0.42
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 1/20 0.38
OPRK1 P41145 1/20 0.38
PKM P14618 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL3916860 0.87 MEN1 (0.42) KMT2AMEN1LMNAHTTRECQL
SCHEMBL3916126 0.84 HRH3 (0.47) KMT2AMEN1LMNAHTTRECQL
SCHEMBL2942653 0.84 HPGD (0.42) KMT2AMEN1LMNAHTTPKM
SCHEMBL5666076 0.81 KMT2A (0.48) KMT2AMEN1LMNAHTTRECQL
SCHEMBL2932813 0.77 MEN1 (0.43) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL4036584 0.77 USP2 (0.49) LMNASMN1; SMN2FAAH
SCHEMBL2943001 0.76 MEN1 (0.39) KMT2AMEN1OPRK1
SCHEMBL4035704 0.75 NPFFR1 (0.38) KMT2AMEN1SMN1; SMN2NPFFR1NPFFR2
SCHEMBL2938912 0.75 CYP3A4 (0.42) KMT2AMEN1LMNARECQLSMN1; SMN2
SCHEMBL2941205 0.75 MEN1 (0.44) KMT2AMEN1LMNAHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed