SCHEMBL22820194

SCHEMBL22820194

CC(C)(C)C(=O)N1CCC(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
NPC1 O15118 1/20 0.59
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.48
ALOX15 P16050 1/20 0.48
EPHX2 P34913 1/20 0.48
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2B P41595 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL22819935 0.81 HTR2B (0.69) KMT2ANPC1MEN1HTR2BLMNA
SCHEMBL1425012 0.79 KMT2A (0.64) KMT2ANPC1MEN1POLBDRD3
SCHEMBL22820100 0.78 SIGMAR1 (0.67) KMT2AMEN1POLBDRD3DRD2
SCHEMBL22820228 0.74 DRD2 (0.57) KMT2ANPC1MEN1POLBEPHX2
SCHEMBL22819967 0.71 L3MBTL1 (0.60) KMT2ANPC1MEN1POLBTSHR
SCHEMBL13768769 0.71 EPHX1 (0.62) EPHX2
SCHEMBL4010729 0.71 EPHX2 (0.78) EPHX2
SCHEMBL22819939 0.70 LMNA (0.70) KMT2ANPC1MEN1POLBLMNA
SCHEMBL22819965 0.69 LMNA (0.63) KMT2ANPC1MEN1POLBLMNA
SCHEMBL4011010 0.69 EPHX2 (0.83) EPHX2

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-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed