SCHEMBL2829282

SCHEMBL2829282

CCOc1ccc(Br)cc1C(=O)C=CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
MBTD1 Q05BQ5 2/20 0.43
OPRK1 P41145 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
HCN1 O60741 3/20 0.40
HCN4 Q9Y3Q4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2833290 0.99 AR (0.44) ARMBTD1OPRK1LMNANPC1
SCHEMBL4381900 0.92 HCN1 (0.46) ARLMNANPC1USP2ALDH1A1
SCHEMBL4380837 0.91 AR (0.44) ARLMNANPC1USP2ALDH1A1
SCHEMBL4378980 0.79 AR (0.47) ARALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL4383151 0.78 AR (0.45) ARLMNAALDH1A1MAPTL3MBTL1
SCHEMBL5216873 0.77 DRD2 (0.44) ARLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4378240 0.76 AR (0.44) ARLMNAALDH1A1MAPTMAPK1
SCHEMBL13090286 0.75 SMN1; SMN2 (0.49) ARMBTD1LMNAMAPK1L3MBTL1
SCHEMBL2833291 0.75 SMN1; SMN2 (0.49) ARMBTD1LMNAMAPK1L3MBTL1
SCHEMBL2829096 0.74 ALDH1A1 (0.51) LMNANPC1USP2ALDH1A1MAPT

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 2 patents. 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 claimed
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed