SCHEMBL14290100

SCHEMBL14290100

C[C@@H]1CCN(C(=O)CN)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
SMYD3 Q9H7B4 3/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL10305143 1.00 ALDH1A1 (0.53) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL6290056 0.89 ALDH1A1 (0.69) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL8284598 0.88 ALDH1A1 (0.64) ALDH1A1LMNANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL1692191 0.86 ALDH1A1 (0.62) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL13189049 0.85 NPC1 (0.56) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL17740063 0.85 NPC1 (0.56) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL17815867 0.83
SCHEMBL24456999 0.82 ALDH1A1 (0.55) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL16621832 0.82 ALDH1A1 (0.55) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL13727214 0.82 ALDH1A1 (0.55) ALDH1A1LMNANPC1MEN1KMT2A

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-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed