SCHEMBL4032439

SCHEMBL4032439

CCCN1CCC(CC2CCN(c3ccc(C(C)=O)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRM4 P08173 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
MAPK1 P28482 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.43
DRD2 P14416 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR4 Q13639 1/20 0.42

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
SCHEMBL4038173 0.89 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL4034760 0.86 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL5210554 0.86 GPR119 (0.47) KMT2AMAPTMEN1ALDH1A1GPR119
SCHEMBL4032425 0.85 HRH1 (0.48) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL11736036 0.84 DRD2 (0.60) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL24725739 0.82 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL4032437 0.80 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL4032905 0.79 KMT2A (0.57) KMT2AMAPTMEN1ALDH1A1GPR119
SCHEMBL30582718 0.77 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1CHRM4
SCHEMBL3770035 0.76 USP2 (0.53) KMT2AMAPTMEN1ALDH1A1CHRM4

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-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed