SCHEMBL2829573

SCHEMBL2829573

O=C(CSc1ccc(F)cc1Cl)N1CCC(N2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL3 Q96JM7 6/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LRRK2 Q5S007 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 1/20 0.42
MBTD1 Q05BQ5 4/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 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
SCHEMBL4377596 0.91 USP2 (0.51) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL4378548 0.90 USP2 (0.52) L3MBTL1KMT2AKDM4EALDH1A1MEN1
SCHEMBL2833292 0.81 L3MBTL1 (0.58) L3MBTL1KMT2AKDM4EALDH1A1MEN1
SCHEMBL2829774 0.81 L3MBTL3 (0.48) L3MBTL1KMT2AKDM4EALDH1A1MEN1
SCHEMBL2852216 0.76 ALDH1A1 (0.49) L3MBTL1KMT2AKDM4EALDH1A1MEN1
SCHEMBL4378505 0.75 NPC1 (0.57) L3MBTL1KMT2AALDH1A1MEN1LMNA
SCHEMBL4378283 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL24564645 0.72 MEN1 (0.50) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL24581213 0.72 ALDH1A1 (0.42) L3MBTL1KMT2AALDH1A1MEN1LMNA
SCHEMBL29697017 0.72 MEN1 (0.50) KMT2AALDH1A1MEN1LMNAMAPT

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