SCHEMBL8867740

SCHEMBL8867740

CN(C)C(=O)Nc1ccc(CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HRH3 Q9Y5N1 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
APEX1 P27695 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NPY5R Q15761 1/20 0.46

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
SCHEMBL8867731 0.86 TSHR (0.58) TSHRHRH3CA12CA1CA2
SCHEMBL3678231 0.86 TSHR (0.58) TSHRHRH3CA12CA1CA2
SCHEMBL100560 0.83 TSHR (0.63) TSHRCA12CA1CA2CA9
SCHEMBL687878 0.82 TSHR (0.79) TSHRCA12CA1CA2CA9
SCHEMBL14468490 0.81 TSHR (0.61) TSHRCA12CA1CA2CA9
SCHEMBL11109576 0.81 TSHR (0.53) TSHRHRH3CA12CA1CA2
SCHEMBL11112348 0.81 ALDH1A1 (0.57) TSHRNPY5R
SCHEMBL11104075 0.81 TSHR (0.53) TSHRHRH3CA12CA1CA2
SCHEMBL8531301 0.80 TSHR (0.59) TSHRCA12CA1CA2CA9
SCHEMBL11375896 0.80 TSHR (0.65) TSHRHRH3CA12CA1CA2

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed