SCHEMBL6969013

SCHEMBL6969013

CC(C)(C)OC(=O)N1C(=O)CCCCC1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.48
KLK5 Q9Y337 6/20 0.45
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
PARP1 P09874 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
DAGLA Q9Y4D2 2/20 0.41
STS P08842 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL29997809 1.00 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3728443 0.91 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL19419776 0.91 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL15383781 0.91 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL5888448 0.90 YAP1 (0.47) KLK7PARP1KMT2A
SCHEMBL5888451 0.90 YAP1 (0.47) KLK7PARP1KMT2A
SCHEMBL598705 0.87 KLK7 (0.45) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL598704 0.87 KLK7 (0.45) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL5966655 0.87 HCRTR1 (0.42) KLK7STSKMT2A
SCHEMBL247530 0.85 KLK7 (0.54) KLK7KLK5PRSS1PRSS2PRSS3

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
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed