SCHEMBL13636173

SCHEMBL13636173

COc1ccc(C(=O)CCC(=O)N2CCN(CC3CC3)CC2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
PDE4B Q07343 1/20 0.43
KMT2A Q03164 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41

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
SCHEMBL4375426 0.91 HRH3 (0.64) HRH3SMN1; SMN2ALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL4375730 0.90 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1POLBTDP1
SCHEMBL14190971 0.88 HRH3 (0.66) HRH3KMT2AMEN1HTTSMN1; SMN2
SCHEMBL4377304 0.77 HRH3 (0.97) HRH3POLB
Hydrochloric Acid SCHEMBL4382044 0.76 HRH3 (1.00) HRH3POLB
SCHEMBL14218058 0.74 HRH3 (0.74) HRH3KMT2AMEN1HTTSMN1; SMN2
SCHEMBL4379469 0.73 HRH3 (0.64) HRH3KMT2AALDH1A1
SCHEMBL4388156 0.73 HRH3 (0.64) HRH3KMT2AALDH1A1POLBTDP1
SCHEMBL4378095 0.73 HRH3 (0.88) HRH3POLB
Hydrochloric Acid SCHEMBL4377733 0.72 HRH3 (0.65) HRH3KMT2AALDH1A1

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