SCHEMBL11080396

SCHEMBL11080396

O=C(CCCCC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SLC6A7 Q99884 1/20 0.50
HRH3 Q9Y5N1 10/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ME2 P23368 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
SCHEMBL11083771 0.86 HRH3 (0.62) HRH3LMNAHTR1ADRD2DRD4
SCHEMBL11077602 0.86 ME2 (0.57) POLBSLC6A7KDM4ELMNAMAPT
SCHEMBL11082813 0.80 GFER (0.57) POLBSLC6A7KDM4EHPGDHSD17B10
SCHEMBL11090165 0.79 GNAI3 (0.49) POLBSLC6A7HRH3KDM4ELMNA
SCHEMBL14768692 0.76 SLC6A7 (0.51) POLBSLC6A7HRH3KDM4ELMNA
SCHEMBL24449115 0.75 HTR1A (0.55) POLBSLC6A7HRH3KDM4EHPGD
SCHEMBL22481434 0.75 SLC6A7 (0.53) POLBSLC6A7HRH3KDM4EHPGD
SCHEMBL11079083 0.74 KDM4E (0.57) POLBSLC6A7KDM4ELMNAMAPT
SCHEMBL14411664 0.74 SLC6A7 (0.54) SLC6A7HRH3KDM4EHPGDHSD17B10
SCHEMBL10968173 0.73 TRPV1 (0.67) KDM4ELMNAMAPTMAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP disclosed