SCHEMBL7873415

SCHEMBL7873415

C[C@H](NOC1CCCCO1)[C@@H](CC1CCC(c2ccccc2)CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
SLC18A3 Q16572 5/20 0.36
F2RL1 P55085 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.35
CTSS P25774 1/20 0.34
IDO1 P14902 1/20 0.34
PRCP P42785 1/20 0.34
KIF11 P52732 1/20 0.34
ACACB O00763 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL7429163 0.83 METAP2 (0.41) SLC6A3SLC18A3F2RL1NPY5RCTSS
SCHEMBL7393950 0.79 SLC18A3 (0.34) SLC6A3SLC18A3F2RL1MEN1KMT2A
SCHEMBL4287736 0.78 EPHX2 (0.40) SLC6A3MEN1KMT2A
SCHEMBL7876940 0.78 PSMB5 (0.33) CTSSIDO1
SCHEMBL7486546 0.76 MGLL (0.40) MEN1KMT2A
SCHEMBL7383746 0.76 MEN1 (0.35) SLC6A3MEN1KMT2A
SCHEMBL7359462 0.73 IDO1 (0.42) SLC18A3IDO1PRCPKCNH2HRH3
SCHEMBL7953190 0.73 NPC1 (0.37) MEN1KMT2A
SCHEMBL7381198 0.72 CTSL (0.34) SLC6A3MEN1KMT2ACTSS
SCHEMBL7421314 0.72 CTSL (0.34) SLC6A3MEN1KMT2ACTSS

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