SCHEMBL2829560

SCHEMBL2829560

COc1ccc(C=CC(=O)N2CCC(N3CCCC3)CC2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
PTGS2 P35354 5/20 0.53
PTGS1 P23219 1/20 0.52
TNFRSF1A P19438 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LY96 Q9Y6Y9 1/20 0.48
KDM2B Q8NHM5 1/20 0.47

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
SCHEMBL14190938 0.91 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL4377582 0.91 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL14190923 0.90 KDM4E (0.58) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL4382800 0.90 KDM4E (0.58) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL3773289 0.83 KDM4E (0.51) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL3773292 0.83 KDM4E (0.51) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL13090095 0.81 HPGD (0.51) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL8148362 0.81 KDM4E (0.57) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL2833140 0.81 HPGD (0.50) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL2831400 0.80 ALDH1A1 (0.54) SMN1; SMN2KDM4EGAAMAPTALDH1A1

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 3 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
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed