SCHEMBL25856197

SCHEMBL25856197

CC1CCN(C(=O)C2CCN(C3CN(C)C3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 5/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 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
SCHEMBL26475369 0.87 HTT (0.50) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL8004911 0.83 LMNA (0.52) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL13745751 0.83 HTT (0.55) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL12038511 0.80 KDM4E (0.38) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL12424259 0.80 NAMPT (0.45) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL24204513 0.79 ALDH1A1 (0.47) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL10039301 0.78 HPGD (0.60) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL24185788 0.77 KDM4E (0.43) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL24480430 0.77 HPGD (0.58) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL26475374 0.77 KDM4E (0.36) LMNAALDH1A1KMT2AMEN1KDM4E

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed