SCHEMBL2024609

SCHEMBL2024609

COCC(C)N(N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2024055 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16741679 0.76 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3THRB
SCHEMBL16741372 0.76 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3THRB
SCHEMBL19814582 0.76 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3THRB
SCHEMBL2028828 0.76 THRB (0.33) CHRNB2CHRNA4CHRNB4CHRNA3THRB
SCHEMBL2713474 0.75 HDAC6 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2713471 0.75 HDAC6 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14842276 0.75 HDAC6 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20550625 0.75
SCHEMBL29448013 0.75

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
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed