SCHEMBL22855889

SCHEMBL22855889

CN1C[C@@]2(C)CN(C(=O)C3CC3)C[C@@]2(C)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HSD11B1 P28845 7/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
CHRNB2 P17787 7/20 0.39
CHRNA3 P32297 7/20 0.39
CHRNA4 P43681 7/20 0.39
CHRNB3 Q05901 3/20 0.39
CHRNA6 Q15825 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CHRNB4 P30926 4/20 0.37
CHRNA7 P36544 4/20 0.37
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL24276456 0.80 CHRNB2 (0.48) HTTHSD11B1HPGDCHRNB2CHRNA3
SCHEMBL21324795 0.79 HSD11B1 (0.53) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL15200519 0.77 HSD11B1 (0.47) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL26700772 0.75 HSD11B1 (0.46) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL16565524 0.74 HTT (0.49) HTTHSD11B1HPGDLMNACHRNB2
Hydrochloric Acid SCHEMBL25389619 0.73 HSD11B1 (0.44) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL18713240 0.73 HTT (0.51) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL16730387 0.72 GRM5 (0.51) HTTHSD11B1HPGDLMNACHRNB2
SCHEMBL25810400 0.71 HSD11B1 (0.66) HSD11B1HPGDLMNACHRNB2CHRNA3
SCHEMBL25824960 0.71 HSD11B1 (0.42) HTTHSD11B1HPGDLMNACHRNB2

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-2020259584-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2020-12-30 WO disclosed