SCHEMBL22784699

SCHEMBL22784699

CN1CCN(CCC(=O)N2CCc3ccccc3C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTR1A P08908 4/20 0.58
DRD2 P14416 4/20 0.58
TSHR P16473 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NOTUM Q6P988 1/20 0.56
NAMPT P43490 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NLRP3 Q96P20 1/20 0.54

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
SCHEMBL5658350 0.83 HTR7 (0.64) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL13059439 0.82 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL26450841 0.81 NOTUM (0.66) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL5655873 0.81 HTR1A (0.72) ALDH1A1HPGDHTR1ADRD2TSHR
SCHEMBL6228768 0.80 HDAC3 (0.68) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL4636681 0.80 HTR1A (0.60) HTR1ADRD2
SCHEMBL5657585 0.80 HTR1A (0.55) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL3721168 0.80 PRMT5 (0.56) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL3703522 0.79 NAMPT (0.87) ALDH1A1MAPTSMN1; SMN2NAMPTKDM4E
SCHEMBL13487712 0.79 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11ALDH1A1

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-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed