SCHEMBL26790639

SCHEMBL26790639

CC1CCN(C(=O)c2cccnn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
HSD11B1 P28845 2/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 7/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
THRB P10828 1/20 0.46
GRM5 P41594 1/20 0.46
NAMPT P43490 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL30921003 0.82 L3MBTL1 (0.51) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL13744784 0.80 L3MBTL1 (0.73) ACHEHSD11B1NPC1RAB9AHPGD
SCHEMBL26790988 0.79 KDM5A (0.50) HPGDNAMPTL3MBTL1KDM5A
SCHEMBL27491158 0.78 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2NAMPTL3MBTL1KDM5A
SCHEMBL28859625 0.78 SMN1; SMN2 (0.51) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL22840143 0.77 ACHE (0.51) ACHEHSD11B1NPC1RAB9AHPGD
SCHEMBL20460496 0.76 HSD11B1 (0.51) ACHEHSD11B1NPC1RAB9AHPGD
SCHEMBL13450099 0.76 HSD11B1 (0.61) ACHEHSD11B1NPC1RAB9AHPGD
SCHEMBL17546293 0.76 HSD11B1 (0.61) ACHEHSD11B1NPC1RAB9AHPGD
SCHEMBL27672802 0.76 NAMPT (0.43) NAMPTL3MBTL1KDM4EKDM5A

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-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed