SCHEMBL24092980

SCHEMBL24092980

CC(C)C1CCN(C(=O)CCCN(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ GNAI3 P08754 8/20 0.45
▸ GNAO1 P09471 8/20 0.45
▸ GNAI1 P63096 8/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38

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
SCHEMBL12384628 0.90 NPC1 (0.44) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL24023954 0.85 SIGMAR1 (0.42) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL22874721 0.85 GNAI3 (0.57) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL20892956 0.84 MEN1 (0.47) NPC1L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL21431247 0.82 GAA (0.34) SIGMAR1MEN1KMT2ATLR9TLR8
SCHEMBL18888304 0.82 GNAI3 (0.67) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL7919921 0.81 NPC1 (0.48) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL25075204 0.81 NPC1 (0.50) NPC1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL14549450 0.81 MAPT (0.39) NPC1GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2603232 0.80 GAA (0.40) NPC1GNAI3GNAO1GNAI1MEN1

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
EP-3707133-B1 BTK INHIBITOR COMPOUNDS LILLY CO ELI (US) 2021-12-15 — — EP disclosed
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