SCHEMBL19002069

SCHEMBL19002069

CCCCOC1CCN(c2ccc(C(=O)CC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
GAA P10253 1/20 0.43
ABCB1 P08183 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL6134525 0.85 HPGD (0.47) HRH3LIPCLIPGMAPTHPGD
SCHEMBL6134785 0.85 MAPT (0.50) LIPCLIPGMAPTHPGDTSHR
SCHEMBL6134206 0.81 HDAC3 (0.47) LIPCLIPGMAPTHPGDTSHR
SCHEMBL6134511 0.81 ALDH1A1 (0.47) LIPCLIPGMAPTHPGDTSHR
SCHEMBL6133632 0.81 HDAC3 (0.48) LIPCLIPGMAPTHPGDTSHR
SCHEMBL18987003 0.80 BCHE (0.47) HRH3MAPTSMN1; SMN2GAARAB9A
SCHEMBL6134832 0.78 HDAC3 (0.49) LIPCLIPGMAPTHPGDTSHR
SCHEMBL6135503 0.78 CSNK2A2 (0.52) HRH3LIPCLIPGUSP2
SCHEMBL18987371 0.78 USP2 (0.51) HRH3MAPTHPGDTSHRSMN1; SMN2
SCHEMBL19002044 0.78 USP2 (0.69) HRH3MAPTHPGDHSD17B10SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed