SCHEMBL13636210

SCHEMBL13636210

Nc1ccc(OCCC(=O)N2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 3/20 0.47
PDE3B Q13370 6/20 0.46
PDE3A Q14432 6/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL14190973 0.85 HRH3 (0.61) HRH3HRH2HRH1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4388263 0.84 HRH3 (0.62) HRH3HRH2HRH1HPGDSMN1; SMN2
SCHEMBL13636381 0.82 HRH3 (0.52) HRH3HRH1SMN1; SMN2PDE3BPDE3A
Hydrochloric Acid SCHEMBL4388621 0.81 HRH3 (0.54) HRH3HRH1SMN1; SMN2PDE3BPDE3A
SCHEMBL13636245 0.77 SMN1; SMN2 (0.49) HRH3HRH2HRH1HPGDSMN1; SMN2
SCHEMBL7323131 0.74 FKBP1A (0.61) SMN1; SMN2GAAMAPTMEN1ALDH1A1
SCHEMBL18753913 0.74 CA12 (0.54) HRH3GAAALDH1A1KDM4E
SCHEMBL20512382 0.69 DRD2 (0.56) HRH3HRH2HRH1SMN1; SMN2MAPT
SCHEMBL15650734 0.69 POLB (0.61) SMN1; SMN2GAAMEN1ALDH1A1KMT2A
SCHEMBL20750427 0.69 CNR2 (0.51) SMN1; SMN2NPC1

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