SCHEMBL5384805

SCHEMBL5384805

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.66
▸ MMP2 P08253 12/20 0.64
▸ MMP9 P14780 12/20 0.64
▸ MMP14 P50281 12/20 0.64
▸ MMP8 P22894 11/20 0.64
▸ NMBR P28336 2/20 0.63
▸ MMP11 P24347 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ MMP7 P09237 1/20 0.60
▸ ANPEP P15144 1/20 0.60
▸ ERAP1 Q9NZ08 1/20 0.60
▸ ECE1 P42892 1/20 0.60

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
SCHEMBL28318023 0.94 CCKBR (0.76) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL184330 0.94 CCKBR (0.76) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL22590113 0.94 CCKBR (0.76) CCKBRMMP2MMP9MMP14MMP8
Hydrochloric Acid SCHEMBL4400312 0.93 CCKBR (0.75) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL5389023 0.93 NMBR (0.65) CCKBRNMBRGAAMAPTHTT
SCHEMBL22393140 0.93 NMBR (0.65) CCKBRNMBRGAAMAPTHTT
SCHEMBL5394633 0.92 NMBR (0.64) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL13154757 0.92 NMBR (0.64) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL11699855 0.91 CCKBR (0.68) CCKBRMMP2MMP9MMP14MMP8
SCHEMBL13093298 0.90 NMBR (0.67) CCKBRNMBRGAAMAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 — — US disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 — — US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 — — EP disclosed
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