SCHEMBL25824960

SCHEMBL25824960

C=C(C)C1(C)CN(C(=O)C2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.42
HPGD P15428 1/20 0.41
CHRNB2 P17787 5/20 0.38
CHRNA3 P32297 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNB3 Q05901 3/20 0.38
CHRNA6 Q15825 3/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 2/20 0.36
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD11B2 P80365 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21324795 0.77 HSD11B1 (0.53) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL15200519 0.75 HSD11B1 (0.47) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL26700772 0.74 HSD11B1 (0.46) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL25389619 0.72 HSD11B1 (0.44) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL22855889 0.71 HTT (0.46) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL24276456 0.71 CHRNB2 (0.48) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL25810400 0.69 HSD11B1 (0.66) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL17177244 0.68 GRM5 (0.49) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL15199123 0.68 HSD11B1 (0.41) HSD11B1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL25388586 0.68 HSD11B1 (0.41) HSD11B1HPGDCHRNB2CHRNA3CHRNA4

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