SCHEMBL2852341

SCHEMBL2852341

O=C(CSCc1cccc2ccccc12)N1CCC(N2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TP53BP1 Q12888 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
SIGMAR1 Q99720 4/20 0.46
KDM4E B2RXH2 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CALCRL Q16602 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
CCR4 P51679 1/20 0.44
ACACB O00763 1/20 0.43

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
SCHEMBL4375780 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1KDM4EMEN1KMT2A
SCHEMBL4386687 0.90 SIGMAR1 (0.56) CYP1A2SIGMAR1KDM4EACHEALDH1A1
SCHEMBL12204694 0.83 CYP1A2 (0.56) CYP1A2SIGMAR1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL14218006 0.78 CYP1A2 (0.56) CYP1A2KDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL15931631 0.77 MEN1 (0.61) CYP1A2L3MBTL1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4382764 0.75 RAB9A (0.57) CYP1A2KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2829296 0.74 KDM4E (0.62) CYP1A2L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4381921 0.74 MAPT (0.58) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2836574 0.73 L3MBTL1 (0.58) L3MBTL3L3MBTL1TP53BP1MBTD1KDM4E
SCHEMBL11958401 0.71 KMT2A (0.59) KDM4EMEN1KMT2AALDH1A1

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