SCHEMBL8425009

SCHEMBL8425009

CC(=O)N1CC(=O)N/C(=C\c2ccc(OCCCN(C)C)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.71
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DNM1 Q05193 2/20 0.46
MAOB P27338 4/20 0.42
APP P05067 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TNF P01375 1/20 0.41
IL6 P05231 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL8428812 0.95 HRH3 (0.69) HRH3MEN1KMT2ADNM1MAOB
SCHEMBL8411264 0.81 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1
SCHEMBL8573167 0.81 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1
SCHEMBL8411263 0.81 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1
SCHEMBL8592053 0.79 MEN1 (0.57) HRH3MEN1KMT2AAPPALDH1A1
SCHEMBL8592055 0.79 MEN1 (0.57) HRH3MEN1KMT2AAPPALDH1A1
SCHEMBL1598877 0.76 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1ACHE
SCHEMBL7362683 0.76 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1ACHE
SCHEMBL79547 0.76 MEN1 (0.66) HRH3MEN1KMT2AALDH1A1ACHE
SCHEMBL8425020 0.73 KMT2A (0.56) HRH3MEN1KMT2AMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 US disclosed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 US disclosed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP disclosed
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed