SCHEMBL6323362

SCHEMBL6323362

Cc1ccc(C(=O)CCc2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F10 P00742 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GFER P55789 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP21A2 P08686 1/20 0.44
CYP11B1 P15538 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.44
KCNH2 Q12809 2/20 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
SCHEMBL7956788 1.00 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2AF10
SCHEMBL4940823 0.78 KMT2A (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL171845 0.77 MAPT (0.63) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL9080516 0.76 MEN1 (0.50) MEN1KMT2AHRH3ALDH1A1GAA
SCHEMBL15709155 0.76 THRA (0.57) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL8658603 0.76 ITGB3 (0.40) ITGB3ITGA2BMEN1KMT2AGFER
SCHEMBL12082812 0.75 LMNA (0.69) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL10422044 0.75 MAPT (0.53) ITGB3ITGA2BMEN1KMT2ADRD4
SCHEMBL7399688 0.75 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7958674 0.75 MAPT (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed