SCHEMBL20177102

SCHEMBL20177102

CCCC(C)CC(C#N)CC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37

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
SCHEMBL13588632 1.00 TSHR (0.37) TSHR
SCHEMBL13588635 1.00 TSHR (0.37) TSHR
SCHEMBL22328994 0.86 TSHR (0.32) TSHR
SCHEMBL8818203 0.85 TSHR (0.35) TSHR
SCHEMBL22184096 0.84 ACE2 (0.39) TSHR
SCHEMBL20663197 0.83 TSHR (0.34) TSHR
SCHEMBL21507715 0.79
SCHEMBL13588648 0.78 TSHR (0.31) TSHR
SCHEMBL13588645 0.78 TSHR (0.31) TSHR
SCHEMBL573231 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
WO-2018093696-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed