SCHEMBL25810405

SCHEMBL25810405

CC1(C)CCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR183 P32249 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL25810418 0.90 EPHX2 (0.43) TSHRSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL25810394 0.87 HPGD (0.56) TSHRSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL25810399 0.83 ALDH1A1 (0.63) TSHRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL17809474 0.83 ALDH1A1 (0.57) TSHRSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL25840964 0.81 ALDH1A1 (0.67) TSHRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25843141 0.81 LMNA (0.38) TSHRSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL17176111 0.81 PIK3R1 (0.45) ALDH1A1L3MBTL1LMNAMAPK1NPSR1
SCHEMBL17176113 0.81 PIK3R1 (0.45) ALDH1A1L3MBTL1LMNAMAPK1NPSR1
SCHEMBL25810406 0.81 HSD11B1 (0.44) TSHRSMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL25840973 0.80 CNR2 (0.45) TSHRSMN1; SMN2ALDH1A1L3MBTL1LMNA

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-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed