SCHEMBL7229875

SCHEMBL7229875

C[CH]N1CCNCC1C(=N)N

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 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
SCHEMBL7228563 0.81 NOS2 (0.36) NOS2
SCHEMBL1705459 0.76
SCHEMBL7741825 0.75
SCHEMBL1219899 0.71
SCHEMBL6965933 0.70 PARP1 (0.32)
SCHEMBL375244 0.69
SCHEMBL1134919 0.64 SLC6A2 (0.30)
SCHEMBL3188312 0.64 TDP1 (0.31)
SCHEMBL8971356 0.64 NOS2 (0.35) NOS2
SCHEMBL4055371 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US claimed
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed