SCHEMBL7617030

SCHEMBL7617030

Cc1ccc(OCCNC(=O)CC2CN(C(=O)NC3CCCCC3)CCN2c2nc(-n3ccnc3)ncc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.45
CD38 P28907 3/20 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
SCHEMBL5191344 0.87 NOS2 (0.50) NOS2
SCHEMBL7618914 0.81 NOS2 (0.53) NOS2
SCHEMBL7617023 0.80 NOS2 (0.44) NOS2
SCHEMBL7617106 0.77 NOS2 (0.57) NOS2
SCHEMBL5193011 0.77 NOS2 (0.76) NOS2
SCHEMBL7068571 0.77 NOS2 (0.48) NOS2
SCHEMBL6295185 0.77 NOS2 (0.59) NOS2
SCHEMBL5190180 0.77 NOS2 (0.59) NOS2
SCHEMBL5194645 0.76 NOS2 (0.66) NOS2
SCHEMBL5193698 0.76 NOS2 (0.49) NOS2

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-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US claimed