SCHEMBL26544897

SCHEMBL26544897

COc1cc2c(cc1OC)CN(C(=O)CCC(C)C)CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL13059438 0.85 KMT2A (0.68) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL28263863 0.84 KMT2A (0.63) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7333685 0.83 KMT2A (0.65) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14996180 0.82 KMT2A (0.67) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21255890 0.81 KMT2A (0.66) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL22196923 0.81 KMT2A (0.66) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3507895 0.80 DPP8 (0.57) KMT2ANPC1ALDH1A1HRH3MAPT
SCHEMBL9195698 0.79 MAPT (0.58) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6985977 0.78 KMT2A (0.63) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL22782403 0.78 KMT2A (0.60) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A

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
EP-4261208-A1 A PROCESS FOR MAKING (+)-ALPHA-DIHYDROBENAZINE Adeptio Pharmaceuticals Limited (GB) 2023-10-18 EP disclosed