SCHEMBL7873450

SCHEMBL7873450

N[C@@H](CCc1ccccc1)C(=O)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.61
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.52
RAB9A P51151 7/20 0.50
ALOX12 P18054 1/20 0.50
NPC1 O15118 6/20 0.49
PKM P14618 2/20 0.49
LNPEP Q9UIQ6 2/20 0.48
ERAP2 Q6P179 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
NR3C2 P08235 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL9590000 0.86 ANPEP (0.58) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL9602121 0.86 ANPEP (0.58) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL7418597 0.83 POLB (0.55) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL26741187 0.80 ALDH1A1 (0.60) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL26741146 0.80 ALDH1A1 (0.60) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL7876499 0.80 ANPEP (0.52) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL15143051 0.79 LTA4H (0.56) ALDH1A1RAB9ANPC1LNPEPERAP2
SCHEMBL4952247 0.79 KDM4E (0.51) ANPEPALDH1A1GAAPOLBRAB9A
SCHEMBL7776518 0.78 GAA (0.83) ALDH1A1GAAPOLBRAB9ANPC1
SCHEMBL7873432 0.77 TSHR (0.51) ANPEPALDH1A1GAAPOLBRAB9A

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