SCHEMBL22792059

SCHEMBL22792059

CCN1CCN(Cc2ccc(N3CCN(CC)CC3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 1/20 0.48
▸ NPBWR1 P48145 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ PARP1 P09874 3/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2826503 0.86 KDM4E (0.52) KDM4EGAAALDH1A1MAPTNPBWR1
SCHEMBL13067188 0.86 KDM4E (0.52) KDM4EGAAALDH1A1MAPTNPBWR1
SCHEMBL22792261 0.86 KDM4E (0.52) KDM4EGAAALDH1A1MAPTNPBWR1
SCHEMBL844082 0.86 GAA (0.52) KDM4EGAAALDH1A1MAPTHRH3
SCHEMBL844470 0.86 GAA (0.52) KDM4EGAAALDH1A1MAPTNPBWR1
SCHEMBL28765758 0.83 KDM4E (0.50) KDM4EGAAALDH1A1MAPTNPBWR1
SCHEMBL1666554 0.80 ALDH1A1 (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14376090 0.80 KDM4E (0.56) KDM4EGAAALDH1A1HRH3MEN1
SCHEMBL25018511 0.79 ALDH1A1 (0.54) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL21161033 0.79 KMT2A (0.67) KDM4EGAAALDH1A1MAPTNPC1

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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