SCHEMBL9727745

SCHEMBL9727745

CC1(C)CC(OC(=O)C(=CC(=O)O)C2CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)CC(C)(C)N1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
AMPD2 Q01433 2/20 0.34
GRM6 O15303 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6904601 0.86 DRD2 (0.39) TSHRKMT2AGAADRD2DRD4
SCHEMBL995046 0.86 DRD2 (0.39) TSHRKMT2AGAADRD2DRD4
SCHEMBL11841166 0.83 TSHR (0.43) TSHRKMT2AGAAHTTDRD2
SCHEMBL9229439 0.80 TSHR (0.47) TSHRKMT2AGAAHTTAMPD2
SCHEMBL315332 0.79 TSHR (0.43) TSHRKMT2AGAAHTTDRD2
SCHEMBL315331 0.79 TSHR (0.43) TSHRKMT2AGAAHTTDRD2
SCHEMBL1900036 0.79 HCAR2 (0.43) TSHRKMT2AGAAHTTDRD2
SCHEMBL1900033 0.79 HCAR2 (0.43) TSHRKMT2AGAAHTTDRD2
SCHEMBL11179317 0.78 CHRM3 (0.43) TSHRKMT2AGAAHTTAMPD2
SCHEMBL11403013 0.78 TSHR (0.44) TSHRKMT2AGAAHTTAMPD2

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
US-5167844-A Stabilized against thermal and oxidative degradation CIBA-GEIGY CORPORATION (US) 1992-12-01 US disclosed