SCHEMBL7873431

SCHEMBL7873431

CCOC(=O)NCCCC[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.77
HDAC4 P56524 2/20 0.53
MEF2D Q14814 1/20 0.53
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL7873419 0.87 ANPEP (1.00) ANPEPHTTDPP8DPP7
Hydrochloric Acid SCHEMBL7382206 0.86 ANPEP (0.98) ANPEPHTTDPP8DPP7
SCHEMBL7873398 0.80 ANPEP (0.64) ANPEPHDAC4ALOX12HTTSMN1; SMN2
SCHEMBL7418597 0.78 POLB (0.55) ANPEPALOX12HTTSMN1; SMN2KDM4E
SCHEMBL7879190 0.78 PKM (0.54) ANPEPHTTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7868176 0.76 ANPEP (0.59) ANPEPALOX12HTTSMN1; SMN2KDM4E
SCHEMBL26741187 0.76 ALDH1A1 (0.60) ANPEPALOX12HTTSMN1; SMN2KDM4E
SCHEMBL26741146 0.76 ALDH1A1 (0.60) ANPEPALOX12HTTSMN1; SMN2KDM4E
SCHEMBL29655094 0.75 NPC1 (0.60) HTTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6179239 0.75 NPC1 (0.60) HTTSMN1; SMN2KDM4EALDH1A1NPC1

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed