SCHEMBL28836616

SCHEMBL28836616

O=C(NCC1CC1)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.52
NAPEPLD Q6IQ20 3/20 0.50
NAMPT P43490 1/20 0.47

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
SCHEMBL28111734 0.96 NAMPT (0.49) SCDNAPEPLDNAMPT
SCHEMBL939100 0.85 NAPEPLD (0.48) SCDNAPEPLDNAMPT
SCHEMBL28111774 0.78 HSD11B1 (0.66)
SCHEMBL28111329 0.78 DCTPP1 (0.65) SCD
SCHEMBL1380904 0.77 SCD (0.70) SCD
SCHEMBL936898 0.77 SCD (0.60) SCD
SCHEMBL3233390 0.77 SCD (0.49) SCD
SCHEMBL3233386 0.77 SCD (0.49) SCD
SCHEMBL28111205 0.76 DCTPP1 (0.63) SCD
SCHEMBL1377098 0.76 SCD (0.84) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed