SCHEMBL15580362

SCHEMBL15580362

CCC[C@H](C)CCNCO

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50

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
SCHEMBL16297553 1.00 TSHR (0.50) TSHR
SCHEMBL5932513 0.85 TSHR (0.46) TSHR
SCHEMBL7964460 0.83
SCHEMBL7100023 0.80 TSHR (0.43) TSHR
SCHEMBL20629301 0.80 TSHR (0.43) TSHR
SCHEMBL17919014 0.80 TSHR (0.42) TSHR
SCHEMBL8125049 0.80 TSHR (0.42) TSHR
SCHEMBL21754098 0.80 TSHR (0.43) TSHR
SCHEMBL18388567 0.80 TSHR (0.42) TSHR
SCHEMBL7961731 0.78

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
EP-2398789-B1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed