SCHEMBL5367875

SCHEMBL5367875

O=C(NC(CCCc1ccccc1)C1CNCCO1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 2/20 0.39
HPGD P15428 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HDAC1 Q13547 2/20 0.37
SSTR4 P31391 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
SCHEMBL5375114 0.82 KMT2A (0.42) KMT2AMEN1HTTSMN1; SMN2DPP4
SCHEMBL5370680 0.80 KMT2A (0.44) KMT2AMEN1HTTSMN1; SMN2DPP4
SCHEMBL5368717 0.80 KMT2A (0.40) KMT2AMEN1HTTSMN1; SMN2DPP4
SCHEMBL5363812 0.75 KMT2A (0.46) KMT2AMEN1HTTSMN1; SMN2DPP4
SCHEMBL5378282 0.74 CTSL (0.42)
SCHEMBL5360592 0.71 KMT2A (0.43) KMT2AMEN1HTTSMN1; SMN2DPP4
SCHEMBL5371067 0.71 NPC1 (0.42) SMN1; SMN2
SCHEMBL5358539 0.70 SLC6A2 (0.36) SLC6A2SLC6A4
SCHEMBL10012549 0.69 TRPV1 (0.45) KMT2AMEN1HTTSSTR4
SCHEMBL4196853 0.69 SLC6A2 (0.43) SLC6A2SLC6A4SSTR4

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