SCHEMBL5366087

SCHEMBL5366087

O=C(NC(C(=O)COc1ccccc1Cl)C1CCNCC1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SSTR1 P30872 4/20 0.43
SSTR4 P31391 4/20 0.43
HDAC6 Q9UBN7 1/20 0.42
SCD O00767 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5367918 0.85 ALDH1A1 (0.41) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL5366736 0.84 AKT1 (0.42) RAB9ASMYD3NPC1SMN1; SMN2
SCHEMBL5370713 0.82 CTSL (0.42) MEN1KMT2ASMYD3L3MBTL1
SCHEMBL5370964 0.81 KMT2A (0.46) HPGDMAPTRAB9AMEN1POLB
SCHEMBL5362898 0.80 SMYD3 (0.43) HPGDMAPTRAB9AALDH1A1MEN1
SCHEMBL5362924 0.76 KMT2A (0.41) HPGDALDH1A1MEN1POLBKMT2A
SCHEMBL5371022 0.75 KMT2A (0.49) MAPTRAB9AMEN1POLBKMT2A
SCHEMBL14906914 0.72 HDAC6 (0.57) HPGDHDAC6MAPTRAB9AALDH1A1
SCHEMBL5366188 0.71 DEGS1 (0.44) HPGDMAPTALDH1A1SMYD3
SCHEMBL5364811 0.70 MEN1 (0.42) HPGDRAB9AALDH1A1MEN1KMT2A

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-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed