SCHEMBL7619953

SCHEMBL7619953

CCCNC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)CC1C(=O)NCCC1=COC2=CCOC2=C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.44
NOS1 P29475 1/20 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
SCHEMBL7617069 0.82 NOS2 (0.41) NOS2NOS1
SCHEMBL5189685 0.82 NOS2 (0.61) NOS2NOS1
SCHEMBL7619949 0.81 NOS2 (0.44) NOS2NOS1
SCHEMBL7238562 0.77 NOS2 (0.45) NOS2
SCHEMBL6324813 0.77 NOS2 (0.52) NOS2
SCHEMBL5194174 0.74 NOS2 (0.45) NOS2NOS1
SCHEMBL5195287 0.73 NOS2 (0.63) NOS2NOS1
SCHEMBL7238505 0.73 NOS2 (0.51) NOS2
SCHEMBL5192537 0.73 NOS2 (0.60) NOS2NOS1
SCHEMBL5192403 0.71 NOS2 (0.46) NOS2NOS1

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 disclosed