SCHEMBL4336162

SCHEMBL4336162

N=C(N)N(N)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.42
ALOX5 P09917 3/20 0.32
PHGDH O43175 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
Acetic Acid SCHEMBL28105921 0.85 ALOX5 (0.36) NOS2ALOX5
SCHEMBL3910736 0.76 NOS2 (0.43) NOS2PHGDHNOS3NOS1
SCHEMBL3074753 0.74 PHGDH (0.44) NOS2ALOX5PHGDH
SCHEMBL27971230 0.74 NOS2 (0.42) NOS2ALOX5PHGDHNOS3NOS1
SCHEMBL1991457 0.74 PHGDH (0.39) NOS2PHGDH
SCHEMBL14538277 0.74 ALOX5 (0.41) NOS2ALOX5
SCHEMBL17913064 0.72 PHGDH (0.43) ALOX5PHGDH
SCHEMBL10431258 0.72 FAAH (0.45) NOS2PHGDH
SCHEMBL4092988 0.72 FAAH (0.45) NOS2PHGDH
SCHEMBL27874517 0.72 ALOX5 (0.43) NOS2ALOX5PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583522-A1 USE OF CYCLIN D1 INHIBITORS Forskarpatent i Syd AB (SE) 2005-10-12 EP claimed
WO-2004062654-A1 USE OF CYCLIN D1 INHIBITORS FORSKARPATENT I SYD AB (SE) 2004-07-29 WO claimed
EP-1357881-A4 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK PHARMACEUTICALS INC (US) 2009-02-18 EP disclosed
US-6696454-B2 ADMINISTERING AN INHIBITOR OF SPERMIDINE BIOSYNTHESIS; PREFERRED ARE DCHA (DICYCLOHEXYLAMINE), ADODATO, AND TRANS-4-METHYLCYCLOHEXYLAMINE (4MCHA) QUARK BIOTECH, INC. 2004-02-24 US disclosed
EP-1357881-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION Quark Biotech, Inc. (US) 2003-11-05 EP disclosed
US-20020160978-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK PHARMACEUTICALS, INC. 2002-10-31 US disclosed
WO-2002058623-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK BIOTECH, INC. (US) 2002-08-01 WO disclosed