SCHEMBL18970945

SCHEMBL18970945

CC/C=C/N(C)CC(C)CCC

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL22513741 0.81 TSHR (0.36) TSHR
SCHEMBL25804905 0.78
SCHEMBL3822152 0.74 ALDH1A1 (0.31)
SCHEMBL269067 0.74 TSHR (0.37) TSHR
SCHEMBL3822154 0.74 ALDH1A1 (0.31)
SCHEMBL270183 0.74 TSHR (0.37) TSHR
SCHEMBL6398021 0.69
SCHEMBL5682440 0.69
SCHEMBL5949174 0.69 TSHR (0.46) TSHR
SCHEMBL20055681 0.68 ACE2 (0.40)

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-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed