SCHEMBL20179563

SCHEMBL20179563

CCCN[C@@H](CC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL18649662 1.00 SIGMAR1 (0.34) SIGMAR1
SCHEMBL23340924 0.84 TSHR (0.36)
SCHEMBL20751513 0.82 ALDH1A1 (0.42) SIGMAR1
SCHEMBL16864248 0.81 KMT2A (0.33) SIGMAR1
SCHEMBL19846896 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL21162472 0.79 CYP2D6 (0.31)
SCHEMBL11506624 0.79 SIGMAR1 (0.32) SIGMAR1
SCHEMBL7960833 0.79 LMNA (0.37)
SCHEMBL21799610 0.79 MEN1 (0.30)
SCHEMBL10496398 0.79 LMNA (0.37) SIGMAR1

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-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed