SCHEMBL19935801

SCHEMBL19935801

C=CC(C)CCCCCCCCCCCCCCNC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
PAOX Q6QHF9 1/20 0.35
KISS1R Q969F8 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 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
SCHEMBL16221904 0.81
SCHEMBL23621946 0.80 EPHX1 (0.42) EPHX1PAOXSIGMAR1HTR2AHRH1
SCHEMBL12321237 0.77 EPHX1 (0.39) EPHX1PAOXKISS1RSIGMAR1HTR2A
SCHEMBL2363326 0.77 ADH1B (0.46) EPHX1
SCHEMBL23279316 0.76 KISS1R (0.37) EPHX1PAOXKISS1RHTR2AHRH1
SCHEMBL25729920 0.75
SCHEMBL5613606 0.75 TSHR (0.44)
SCHEMBL5613583 0.75 TSHR (0.44)
SCHEMBL10555437 0.75 TSHR (0.44)
SCHEMBL1157220 0.75 TSHR (0.44)

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-2018045245-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2018-03-08 WO disclosed