SCHEMBL9795372

SCHEMBL9795372

CC(C)(N)CC(=O)NC1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
MAPT P10636 2/20 0.31
DRD2 P14416 2/20 0.31

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
SCHEMBL9795454 0.84 DRD2 (0.31) ALDH1A1L3MBTL1SMN1; SMN2DRD2
SCHEMBL9499613 0.84 DRD2 (0.31) ALDH1A1L3MBTL1SMN1; SMN2DRD2
SCHEMBL9795380 0.82 ALDH1A1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL9795309 0.81 HSD11B1 (0.39) HSD11B1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9499509 0.80 SMYD3 (0.42) ALDH1A1L3MBTL1SMN1; SMN2SMYD3
SCHEMBL9795275 0.80 SMYD3 (0.42) ALDH1A1L3MBTL1SMN1; SMN2SMYD3
SCHEMBL9499579 0.80 SMYD3 (0.42) ALDH1A1L3MBTL1SMN1; SMN2SMYD3
SCHEMBL9795077 0.78 L3MBTL1 (0.35) ALDH1A1L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL7816311 0.78 DRD2 (0.46) L3MBTL1KMT2ADRD2
SCHEMBL9498643 0.77 KMT2A (0.40) ALDH1A1L3MBTL1SMN1; SMN2LMNAKMT2A

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed