SCHEMBL7353552

SCHEMBL7353552

CC(CCC(C=O)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.56
CTSB P07858 5/20 0.53
CTSL P07711 3/20 0.53
CTSH P09668 2/20 0.53
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
ATM Q13315 1/20 0.51
ELANE P08246 1/20 0.48
CTRB1 P17538 1/20 0.48

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
SCHEMBL14527881 0.86 CTSK (0.65) CTSKCTSBCTSLCTSH
SCHEMBL7417702 0.86 CTSK (0.65) CTSKCTSBCTSLCTSH
SCHEMBL7732224 0.85 CTSK (0.63) CTSKCTSBCTSLCTRB1
SCHEMBL18857044 0.85 SMN1; SMN2 (0.62) CTSLATM
SCHEMBL5275940 0.85 CTSK (0.59) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL30825010 0.85 CTSK (0.59) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL5275932 0.85 CTSK (0.59) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL5674735 0.84 CTSK (0.77) CTSKCTSBCTSLCTSH
SCHEMBL5674738 0.84 CTSK (0.77) CTSKCTSBCTSLCTSH
SCHEMBL16230129 0.84 CTSK (0.56) CTSKCTSBCTSLCTSHPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed