SCHEMBL22856413

SCHEMBL22856413

CCCc1ccc(N2CCC(CC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL3 Q96JM7 10/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.42
S1PR1 P21453 1/20 0.40
CDK1 P06493 1/20 0.40
HTR7 P34969 2/20 0.39
HTR6 P50406 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL25833691 0.88 MAOB (0.52) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL13169263 0.86 KDM4E (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1MEN1
SCHEMBL25109335 0.85 MAOA (0.43) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL19567594 0.84 USP2 (0.51) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL23568275 0.84 MAOA (0.43) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL14217337 0.83 SPHK1 (0.51) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL23560476 0.82 MAOB (0.47) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL24359662 0.82 ADRA1A (0.45)
SCHEMBL26912417 0.82 SLC6A2 (0.41) MAOAMAOBL3MBTL3L3MBTL1MBTD1
SCHEMBL149713 0.80 ADRB1 (0.50) L3MBTL3L3MBTL1MEN1KMT2ACDK1

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed