SCHEMBL7879189

SCHEMBL7879189

CN(C)C(=O)CC[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ANPEP P15144 1/20 0.50
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
KDM4E B2RXH2 1/20 0.44
FFAR2 O15552 1/20 0.43
HDAC4 P56524 2/20 0.42
MEF2D Q14814 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL7868122 0.87 POLB (0.51) POLBANPEPGAAALDH1A1NPC1
SCHEMBL7418597 0.82 POLB (0.55) POLBANPEPGAAALDH1A1NPC1
SCHEMBL26741146 0.79 ALDH1A1 (0.60) POLBANPEPGAAALDH1A1NPC1
SCHEMBL26741187 0.79 ALDH1A1 (0.60) POLBANPEPGAAALDH1A1NPC1
SCHEMBL7876499 0.79 ANPEP (0.52) POLBANPEPGAAALDH1A1NPC1
SCHEMBL7873450 0.77 ANPEP (0.61) POLBANPEPGAAALDH1A1NPC1
SCHEMBL13995141 0.77 POLB (0.58) POLBANPEPGAAALDH1A1NPC1
SCHEMBL7873398 0.74 ANPEP (0.64) POLBANPEPGAAALDH1A1NPC1
SCHEMBL9602121 0.74 ANPEP (0.58) POLBANPEPGAAALDH1A1NPC1
SCHEMBL9590000 0.74 ANPEP (0.58) POLBANPEPGAAALDH1A1NPC1

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