SCHEMBL6119601

SCHEMBL6119601

CN1CCN(c2ccc(CC=O)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
FYN P06241 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
TNKS O95271 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL27258792 0.86 HTR3A (0.44) HTR3ARAB9AL3MBTL1KMT2ATLR7
SCHEMBL2759552 0.82 HRH4 (0.49) HTR3ARAB9AL3MBTL1KMT2ATLR7
SCHEMBL4647849 0.81 ALDH1A1 (0.55) KMT2ATDP1SMN1; SMN2AOC3
SCHEMBL12675278 0.81 HTR3A (0.47) HTR3ARAB9AL3MBTL1KMT2ATLR7
SCHEMBL19003513 0.81 HTR3A (0.47) HTR3ARAB9AL3MBTL1KMT2ATLR7
SCHEMBL2322917 0.81 ALDH1A1 (0.57) HTR3ARAB9AL3MBTL1KMT2ATDP1
SCHEMBL5122324 0.81 HTR3A (0.47) HTR3ARAB9AL3MBTL1KMT2ATLR7
SCHEMBL11988947 0.81 SMO (0.52) HTR3ARAB9AL3MBTL1KMT2AHRH4
SCHEMBL6118949 0.81 HRH3 (0.45)
SCHEMBL8281445 0.79 HRH4 (0.46) HTR3ARAB9AL3MBTL1KMT2ATLR7

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
WO-2012068210-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed