SCHEMBL17044017

SCHEMBL17044017

CC(C)NC(=O)CNC(=O)c1cc(N2CC3CC2CN3)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP25 Q9UHP3 2/20 0.41
CHRNB2 P17787 9/20 0.40
CHRNA4 P43681 9/20 0.40
HDAC1 Q13547 1/20 0.38
KDM1A O60341 1/20 0.38
KHK P50053 1/20 0.38

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
SCHEMBL11905601 1.00 USP25 (0.41) USP25CHRNB2CHRNA4HDAC1KDM1A
SCHEMBL1668485 0.87 CHRNB2 (0.43) USP25CHRNB2CHRNA4KDM1AKHK
SCHEMBL17056646 0.83 CCR2 (0.36)
SCHEMBL2461899 0.82 HDAC1 (0.38) HDAC1
SCHEMBL1668496 0.78 CCR2 (0.39)
SCHEMBL2461916 0.77 CCR2 (0.38) HDAC1
SCHEMBL2459768 0.77 MAPT (0.41) USP25HDAC1KHK
SCHEMBL2463515 0.77 MAPT (0.41) USP25HDAC1KHK
SCHEMBL2459776 0.77 MAPT (0.41) USP25HDAC1KHK
SCHEMBL2461995 0.76 ADRB1 (0.38) USP25

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
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed