SCHEMBL11077602

SCHEMBL11077602

O=C(CCCCCc1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.57
ME1 P48163 2/20 0.57
ME3 Q16798 2/20 0.57
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
GRM5 P41594 1/20 0.53
ALDH1A1 P00352 1/20 0.48
HDAC1 Q13547 1/20 0.47
NAAA Q02083 1/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CACNA1G O43497 1/20 0.45
SLC6A7 Q99884 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
SCHEMBL11080396 0.86 POLB (0.50) ME2ME1ME3KDM4EPOLB
SCHEMBL11082813 0.84 GFER (0.57) ME2ME1ME3KDM4EPOLB
SCHEMBL11090165 0.80 GNAI3 (0.49) ME2ME1ME3KDM4EPOLB
SCHEMBL14768692 0.75 SLC6A7 (0.51) KDM4EPOLBALDH1A1MAPTLMNA
SCHEMBL22481434 0.74 SLC6A7 (0.53) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8097277 0.74 HPGD (0.63) ALDH1A1NAAAHPGDMEN1KMT2A
SCHEMBL11076159 0.74 ADRB2 (0.57) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL11083771 0.74 HRH3 (0.62) LMNA
SCHEMBL11079083 0.73 KDM4E (0.57) KDM4EPOLBGRM5ALDH1A1MAPT
SCHEMBL11077598 0.73 ATM (0.51) ME2ME1ME3KDM4EGRM5

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