SCHEMBL20156418

SCHEMBL20156418

CCCC[C@H](CC)C1CCCNCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
GNAO1 P09471 11/20 0.38
GNAI3 P08754 10/20 0.38
GNAI1 P63096 10/20 0.38
EPHX1 P07099 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
SHBG P04278 1/20 0.31

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
SCHEMBL19102992 0.93 GNAO1 (0.42) SIGMAR1GNAO1GNAI3GNAI1EPHX1
SCHEMBL23114622 0.93 GNAO1 (0.42) SIGMAR1GNAO1GNAI3GNAI1EPHX1
SCHEMBL13825689 0.93 GNAO1 (0.38) SIGMAR1GNAO1GNAI3GNAI1EPHX1
SCHEMBL13285534 0.86 CPN1 (0.38) SIGMAR1GNAO1GNAI3GNAI1DPP7
SCHEMBL11280750 0.85 GNAO1 (0.40) SIGMAR1GNAO1GNAI3GNAI1EPHX1
SCHEMBL9207753 0.83 SHBG (0.44) SIGMAR1SHBG
SCHEMBL23065895 0.82 GNAO1 (0.43) SIGMAR1GNAO1GNAI3GNAI1EPHX1
SCHEMBL19103004 0.82 GNAI3 (0.34) SIGMAR1GNAO1GNAI3GNAI1SHBG
SCHEMBL21703732 0.82 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1
SCHEMBL13259736 0.81 CPN1 (0.33) GNAO1GNAI3GNAI1

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed