SCHEMBL2852216

SCHEMBL2852216

O=C(CSc1cccc2cccc(Cl)c12)N1CCC(N2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL3 Q96JM7 5/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TP53BP1 Q12888 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4378626 0.91 ALDH1A1 (0.50) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL4375723 0.90 TSHR (0.52) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL14218007 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL2829573 0.76 L3MBTL1 (0.48) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL4376244 0.76 NPC1 (0.59) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL2829774 0.75 L3MBTL3 (0.48) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL4379550 0.75 ALDH1A1 (0.51) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL2836574 0.74 L3MBTL1 (0.58) L3MBTL1HPGDTSHRKDM4EMAPT
SCHEMBL3070296 0.71 POLB (0.62) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL2833292 0.70 L3MBTL1 (0.58) ALDH1A1L3MBTL1KDM4ELMNASMN1; 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 4 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
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
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
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed