SCHEMBL25810409

SCHEMBL25810409

CC1(C)CC2(CN(C(=O)C3CCOCC3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.38
EPHX2 P34913 2/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
PIK3CD O00329 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
PKM P14618 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MGLL Q99685 1/20 0.36
TACR3 P29371 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL25810406 0.85 HSD11B1 (0.44) HSD11B1TSHRSMN1; SMN2GRM5EPHX2
SCHEMBL25824929 0.79 GRM5 (0.41) HSD11B1TSHRSMN1; SMN2GRM5EPHX2
SCHEMBL25711164 0.77 HRH3 (0.40) HSD11B1TSHRSMN1; SMN2GRM5EPHX2
SCHEMBL25810420 0.76 EPHX2 (0.41) HSD11B1GRM5EPHX2HRH3MGLL
SCHEMBL25810419 0.76 HSD11B1 (0.40) HSD11B1GRM5EPHX2KMT2A
SCHEMBL25810405 0.76 TSHR (0.49) TSHRSMN1; SMN2RECQLPOLBHPGD
SCHEMBL25810188 0.75 PIK3CD (0.43) HSD11B1TSHRSMN1; SMN2GRM5EPHX2
SCHEMBL21324795 0.72 HSD11B1 (0.53) HSD11B1TSHRGRM5HPGDALDH1A1
SCHEMBL25810187 0.69 PIK3CD (0.45) HSD11B1TSHRSMN1; SMN2GRM5RECQL
SCHEMBL25810397 0.69 HSD11B1 (0.61) HSD11B1TSHRSMN1; SMN2GRM5RECQL

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