SCHEMBL25810400

SCHEMBL25810400

CC1(C)CN(C(=O)C2CCCC2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.66
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
HSD11B2 P80365 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GRM5 P41594 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.44

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 0.91 HSD11B1 (0.53) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL25810397 0.83 HSD11B1 (0.61) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL16565524 0.82 HTT (0.49) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL21078025 0.82 CHRNB2 (0.52) HSD11B1ALDH1A1TSHRCHRNB2CHRNA3
SCHEMBL17177147 0.82 GRM5 (0.59) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL21077927 0.80 HSD11B1 (0.44) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL25810399 0.79 ALDH1A1 (0.63) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL25840964 0.78 ALDH1A1 (0.67) HSD11B1ALDH1A1TSHRLMNAHSD11B2
SCHEMBL17886610 0.77 HSD11B1 (0.42) HSD11B1ALDH1A1TSHRLMNACHRNB2
SCHEMBL25149799 0.77 HSD11B1 (0.63) HSD11B1ALDH1A1TSHRLMNACHRNB2

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