SCHEMBL7470063

SCHEMBL7470063

CC(=O)OC(Cc1cccc(N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.46
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
ADRB2 P07550 6/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
TACR1 P25103 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KLK5 Q9Y337 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSL P07711 1/20 0.34

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
SCHEMBL27525604 0.84 SLC7A5 (0.56) SLC7A5ADRB2ADRB1ADRB3ITGA4
SCHEMBL7330324 0.84 ITGA4 (0.47) SLC7A5CTSSCTSKCTSBITGA4
SCHEMBL7330326 0.84 ITGA4 (0.47) SLC7A5CTSSCTSKCTSBITGA4
SCHEMBL28748038 0.82 SRR (0.47) SLC7A5
SCHEMBL7465137 0.81 SLC7A5 (0.47) SLC7A5CTSSCTSKCTSBADRB2
SCHEMBL31689508 0.76 CTSS (0.54) CTSSCTSKCTSBTACR1KLK5
SCHEMBL6180823 0.75 SLC7A5 (0.45) SLC7A5
SCHEMBL3073448 0.73 CTSS (0.47) SLC7A5CTSSCTSKCTSBADRB2
SCHEMBL29392779 0.72 KLK5 (0.61) CTSSCTSKCTSBTACR1KLK5
SCHEMBL8423461 0.72 KLK5 (0.61) CTSSCTSKCTSBTACR1KLK5

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-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed