SCHEMBL8173137

SCHEMBL8173137

CC(CCn1nnn(-c2ccc(N)cc2)c1=O)C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL8173133 0.86 CTSS (0.38)
SCHEMBL4670471 0.79 ADRB2 (0.39) DHODHMAPTADRB2ADRB1ADRB3
SCHEMBL4677838 0.78 NFE2L2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL4670041 0.78 ADRB2 (0.42) DHODHADRB2ADRB1ADRB3
SCHEMBL4670482 0.77 DHODH (0.36) DHODH
Water SCHEMBL4673070 0.77 ADRB2 (0.42) DHODHMAPTADRB2ADRB1ADRB3
SCHEMBL4670626 0.77 ADRB2 (0.40) MAPTADRB2ADRB1ADRB3
Water SCHEMBL4672111 0.77 ADRB2 (0.42) DHODHMAPTADRB2ADRB1ADRB3
SCHEMBL4670059 0.77 ADRB2 (0.42) ADRB2ADRB1ADRB3
SCHEMBL4670426 0.76 ADRB2 (0.38) DHODHMAPTADRB2ADRB1ADRB3

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-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed