SCHEMBL13089991

SCHEMBL13089991

COc1cc(CC(=O)N2CCC(N3CCCCC3)CC2)ccc1C(C)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.47
CCR3 P51677 2/20 0.46
TACR1 P25103 5/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
CBX7 O95931 1/20 0.42
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5456813 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL19419476 0.80 HTT (0.57) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL19419479 0.77 HTT (0.57) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL2833221 0.75 L3MBTL3 (0.59) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL2832797 0.73 KMT2A (0.52) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL21475151 0.73 L3MBTL3 (0.60) ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL2832012 0.72 ACHE (0.64) ALDH1A1KMT2AMEN1CYP2D6CYP2C19
SCHEMBL3765286 0.72 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL3780606 0.72 HTT (0.57) ALDH1A1KMT2AMEN1ATMHTT
SCHEMBL2830376 0.71 KMT2A (0.59) ALDH1A1KMT2AMEN1HTTKDM4E

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-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP disclosed