SCHEMBL20204894

SCHEMBL20204894

C=C(C)C(F)COc1cccc(CCNCc2cccc(N3CC(=O)NC3=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.40
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 3/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SNRNP200 O75643 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL20204891 0.79 BCHE (0.43) BCHESNRNP200
SCHEMBL21536684 0.70 DUT (0.43) MEN1KMT2AALDH1A1SNRNP200
SCHEMBL20204819 0.66 ROCK2 (0.45)
SCHEMBL10338954 0.65 ALOX5 (0.52) KDM4EMEN1KMT2ADDB1CRBN
SCHEMBL5223504 0.64 BCHE (0.66) BCHEKDM4ECYP2D6ALDH1A1
SCHEMBL10814936 0.64 MAPT (0.60) ADRB1MEN1KMT2ADDB1CRBN
SCHEMBL20204885 0.63 BCHE (0.36) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL21536616 0.63 DUT (0.45) KMT2AALDH1A1
SCHEMBL20204632 0.63 ADRB2 (0.50) ADRB2ADRB1MEN1KMT2AALDH1A1
SCHEMBL20204633 0.62 CYP2D6 (0.35) BCHEADRB2ADRB1ADRB3KDM4E

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed