SCHEMBL2829774

SCHEMBL2829774

Cc1cc(SCC(=O)N2CCC(N3CCCC3)CC2)c(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 5/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
UBE2N P61088 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4377334 0.91 USP2 (0.52) ALDH1A1NPSR1RAB9ASMN1; SMN2USP2
SCHEMBL4377384 0.90 TSHR (0.53) ALDH1A1RAB9ASMN1; SMN2USP2TSHR
SCHEMBL2829573 0.81 L3MBTL1 (0.48) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL14218057 0.78 KMT2A (0.55) L3MBTL1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2852216 0.75 ALDH1A1 (0.49) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL4375871 0.74 RAB9A (0.55) L3MBTL1ALDH1A1RAB9ATSHRHPGD
SCHEMBL4379170 0.73 MAPK1 (0.52) ALDH1A1CYP2C19NPSR1SMN1; SMN2HPGD
SCHEMBL20807374 0.72 L3MBTL3 (0.53) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL2836574 0.71 L3MBTL1 (0.58) L3MBTL3L3MBTL1CYP2D6CYP2C19NPSR1
SCHEMBL4377596 0.71 USP2 (0.51) ALDH1A1SMN1; SMN2USP2TSHRUBE2N

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