SCHEMBL31397626

SCHEMBL31397626

CC(=O)N1CCN(C2CCC(N)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IRAK4 Q9NWZ3 5/20 0.41
IRAK1 P51617 2/20 0.41
IRAK3 Q9Y616 2/20 0.41
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CDK19 Q9BWU1 1/20 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
SCHEMBL15508283 0.90 CYP1A2 (0.52) CYP1A2TDP1IRAK4IRAK1IRAK3
Trifluoroacetic Acid SCHEMBL31327037 0.89 IRAK4 (0.36) CYP1A2TDP1IRAK4IRAK1IRAK3
SCHEMBL17284621 0.85 CHRM1 (0.44) CYP1A2TDP1L3MBTL3L3MBTL1
Cyanide SCHEMBL27976810 0.84 CYP1A2 (0.46) CYP1A2TDP1IRAK4IRAK1IRAK3
SCHEMBL1441955 0.82 CYP1A2 (0.45) CYP1A2TDP1IRAK4IRAK1IRAK3
SCHEMBL13227538 0.82 KDM4E (0.53) CYP1A2TDP1IRAK4IRAK1IRAK3
SCHEMBL18711627 0.82 CYP1A2 (0.45) CYP1A2TDP1HRH3KCNH2POLB
SCHEMBL736302 0.82 KDM4E (0.53) CYP1A2TDP1IRAK4IRAK1IRAK3
SCHEMBL861595 0.82 HRH3 (0.41) HRH3KCNH2POLBHSD17B10KDM4E
SCHEMBL13088446 0.82 POLB (0.55) CYP1A2TDP1HRH3KCNH2POLB

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-2025042956-A1 PDE 7 MODULATOR COMPOUNDS OMEROS CORPORATION (US) 2025-02-27 WO disclosed