SCHEMBL13636162

SCHEMBL13636162

C=C(CCCc1ccc(OC)c(OC)c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.48
SHMT2 P34897 1/20 0.45
SLC6A4 P31645 1/20 0.44
KCNA5 P22460 5/20 0.44
SCN5A Q14524 5/20 0.44
KCND2 Q9NZV8 5/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 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
SCHEMBL4384250 0.88 KMT2A (0.64) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL4375522 0.87 KMT2A (0.62) KMT2AALDH1A1TSHRMEN1SHMT2
Hydrochloric Acid SCHEMBL4378950 0.86 KMT2A (0.61) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL4375187 0.83 KMT2A (0.73) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL4377238 0.82 KMT2A (0.71) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL4384401 0.78 ALDH1A1 (0.51) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL2832797 0.78 KMT2A (0.52) KMT2AALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL4384398 0.77 KCNA5 (0.50) KMT2AALDH1A1TSHRMEN1SHMT2
SCHEMBL4379159 0.73 ALDH1A1 (0.87) KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL2833221 0.73 L3MBTL3 (0.59) KMT2AALDH1A1TSHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed