SCHEMBL13636165

SCHEMBL13636165

COc1c(/C=C\C(=O)N2CCN(C3CCCC3)CC2)cccc1C(C)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NFE2L2 Q16236 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL13636199 0.99 HPGD (0.45) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL4382984 0.85 KMT2A (0.61) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL14190940 0.85 KMT2A (0.61) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL4386306 0.84 KMT2A (0.60) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL14190925 0.84 KMT2A (0.60) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL13636016 0.80 LMNA (0.44) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL2831501 0.77 HPGD (0.61) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL3769345 0.76 L3MBTL1 (0.53) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL3769341 0.76 L3MBTL1 (0.53) HPGDKMT2ALMNAMAPTNPC1
SCHEMBL13636365 0.75 HPGD (0.47) HPGDKMT2AMAPTNPC1RAB9A

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