SCHEMBL8478451

SCHEMBL8478451

NC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
SLC6A9 P48067 1/20 0.47
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
OPRD1 P41143 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 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
SCHEMBL27481210 0.88 CNR1 (0.57) KMT2ACNR1CNR2ALDH1A1SLC6A9
Hydrochloric Acid SCHEMBL5394384 0.87 CNR1 (0.56) KMT2ACNR1CNR2ALDH1A1LMNA
SCHEMBL25882268 0.86 LMNA (0.47) KMT2AALDH1A1LMNAMEN1GLA
SCHEMBL12499368 0.84 ALDH1A1 (0.51) KMT2ACNR1CNR2ALDH1A1TDP1
SCHEMBL2475044 0.82 KMT2A (0.56) KMT2ACNR1CNR2ALDH1A1LMNA
SCHEMBL8473590 0.81 ALDH1A1 (0.60) KMT2ACNR1CNR2ALDH1A1TDP1
SCHEMBL18614900 0.80 L3MBTL3 (0.50) KMT2ACNR1CNR2ALDH1A1SLC6A9
SCHEMBL18614904 0.80 L3MBTL3 (0.50) KMT2ACNR1CNR2ALDH1A1SLC6A9
SCHEMBL18634599 0.80 L3MBTL3 (0.50) KMT2ACNR1CNR2ALDH1A1SLC6A9
SCHEMBL5392078 0.79 ALDH1A1 (0.66) ALDH1A1TDP1KDM4EMAPTHPGD

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
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed