SCHEMBL7740327

SCHEMBL7740327

COCC#Cc1ccc(C(=O)N[C@H](CCC(=O)NO)C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
FOLH1 Q04609 2/20 0.42
MMP8 P22894 1/20 0.41

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
SCHEMBL7742584 1.00 CCKBR (0.46) CCKBRFOLH1MMP8
SCHEMBL7740324 1.00 CCKBR (0.46) CCKBRFOLH1MMP8
SCHEMBL7741014 0.97 FOLH1 (0.44) CCKBRFOLH1
SCHEMBL7741016 0.97 FOLH1 (0.44) CCKBRFOLH1
SCHEMBL7740171 0.95 MMP8 (0.46) CCKBRMMP8
SCHEMBL7740175 0.95 MMP8 (0.46) CCKBRMMP8
SCHEMBL7742579 0.88 POLB (0.40)
SCHEMBL7742586 0.88 POLB (0.40)
SCHEMBL7734853 0.87 HDAC1 (0.39)
SCHEMBL7734857 0.87 HDAC1 (0.39)

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
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed