SCHEMBL20909756

SCHEMBL20909756

CC1(C)CN(C(=O)CO)Cc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.43
NR1H2 P55055 1/20 0.40
NAMPT P43490 1/20 0.37
HSD17B3 P37058 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
DPP7 Q9UHL4 7/20 0.32
DPP8 Q6V1X1 6/20 0.32
DPP9 Q86TI2 6/20 0.32
DPP4 P27487 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RYR2 Q92736 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
SCHEMBL23011091 0.85 DPP8 (0.43) WEE1NAMPTFPR1FPR2DPP7
SCHEMBL450030 0.85 HSD17B3 (0.44) WEE1NR1H2NAMPTHSD17B3HDAC8
SCHEMBL20875568 0.85 NR1H2 (0.42) WEE1NR1H2NAMPTHSD17B3HDAC8
SCHEMBL20883875 0.82 BCHE (0.43) WEE1FPR1FPR2HPGD
SCHEMBL20889837 0.82 WEE1 (0.40) WEE1FPR1FPR2KDM4EALDH1A1
SCHEMBL7655450 0.80 ESR1 (0.42) WEE1NR1H2NAMPTHSD17B3HDAC8
SCHEMBL29507872 0.78 NR1H2 (0.64) WEE1NR1H2NAMPTKDM4EALDH1A1
SCHEMBL446262 0.78 NR1H2 (0.64) WEE1NR1H2NAMPTKDM4EALDH1A1
SCHEMBL1952271 0.75 LMNA (0.33) NR1H2HSD17B3KDM4EALDH1A1HPGD
SCHEMBL29506598 0.73 ADRA2C (0.39) WEE1NR1H2HSD17B3KDM4EALDH1A1

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-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed