SCHEMBL13636355

SCHEMBL13636355

C=C(COc1ccc(C(C)=O)cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.65
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HRH1 P35367 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
SCHEMBL4384247 0.89 HRH3 (0.66) HRH3POLBTDP1ALDH1A1GAA
SCHEMBL7956272 0.79 NPC1 (0.69) HRH3ALDH1A1GAAMAPTKMT2A
SCHEMBL4377632 0.77 MAPK1 (0.75) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL4379155 0.74 ENPP2 (0.67) HRH3ALDH1A1GAAMAPTKMT2A
SCHEMBL14247599 0.72 P2RX7 (0.52) HRH3POLBALDH1A1MAPTKMT2A
SCHEMBL7400055 0.72 ITGB3 (0.54) HRH3ALDH1A1GAAITGB3ITGA2B
SCHEMBL1283182 0.72 ME2 (0.56) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL7327928 0.71 HRH3 (0.59) HRH3POLBALDH1A1ITGB3ITGA2B
SCHEMBL7402423 0.71 USP2 (0.54) POLBALDH1A1GAAMAPTITGB3
SCHEMBL4376118 0.71 HRH3 (0.60) HRH3POLBMAPTLMNAMAPK1

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