SCHEMBL7228563

SCHEMBL7228563

CC[CH]N1CCNCC1C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.36

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
SCHEMBL7229875 0.81 NOS2 (0.39) NOS2
SCHEMBL1220359 0.74
SCHEMBL477203 0.72
SCHEMBL4534726 0.72 SLC6A2 (0.30)
SCHEMBL477223 0.66
SCHEMBL1218570 0.65 POLB (0.30)
SCHEMBL26631958 0.65 CA1 (0.32) NOS2
SCHEMBL1218550 0.64
SCHEMBL1219999 0.62
SCHEMBL1219871 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 1 patent. 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