SCHEMBL9214752

SCHEMBL9214752

COc1ccc(C[C@H](CC(=O)N2CCN(C)CC2)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MMP1 P03956 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
IL6ST P40189 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FKBP1A P62942 1/20 0.36
IDH1 O75874 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL9220378 0.92 KMT2A (0.45) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL9220381 0.92 KMT2A (0.45) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL9220375 0.92 KMT2A (0.45) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL7439721 0.91 FKBP1A (0.47) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL7327072 0.91 FKBP1A (0.47) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL7439715 0.91 FKBP1A (0.47) MAPTPOLBPKMSMN1; SMN2IL6ST
SCHEMBL9217062 0.78 TDP1 (0.49) MAPTSMN1; SMN2IL6ST
SCHEMBL9217060 0.78 TDP1 (0.49) MAPTSMN1; SMN2IL6ST
SCHEMBL9217065 0.78 TDP1 (0.49) MAPTSMN1; SMN2IL6ST
SCHEMBL9219299 0.77 MAPT (0.64) MAPTPOLBPKMMMP1SMN1; 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
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed