SCHEMBL28044673

SCHEMBL28044673

O=C(c1c[c]ccc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
LMNA P02545 4/20 0.66
USP2 O75604 2/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
POLB P06746 2/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SLC6A7 Q99884 1/20 0.60
ALDH1A1 P00352 5/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
HSD17B10 Q99714 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL15546947 0.91 POLB (0.64) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL1920680 0.87 ALDH1A1 (0.49) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL8595777 0.84 POLB (0.87) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL5546278 0.83 POLB (0.69) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL7124360 0.83 MEN1 (0.69) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL1921183 0.81 HPGD (0.55) LMNAUSP2MAPK1POLBMEN1
SCHEMBL1298628 0.81 HPGD (0.59) LMNAUSP2MAPK1POLBMEN1
SCHEMBL10721777 0.81 MEN1 (0.87) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL28648111 0.81 KDM4E (0.72) TSHRLMNAUSP2MAPTMAPK1
SCHEMBL7002476 0.80 HSP90AA1 (0.44) USP2KMT2AALDH1A1

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
CN-105073745-A Glucosylceramide synthase inhibitors GENZYME CORP 2015-11-18 CN disclosed