SCHEMBL21186540

SCHEMBL21186540

CNCCCC(C)CCNC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.42
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL21591959 0.88 HTR2A (0.40) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL13362222 0.84 LMNA (0.62) KISS1RHTR2AHRH1LMNA
SCHEMBL17808443 0.84 EPHX1 (0.46) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL214688 0.84 LMNA (0.62) KISS1RHTR2AHRH1LMNA
SCHEMBL7026506 0.84 EPHX1 (0.46) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL92647 0.84 EPHX1 (0.52) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL22662445 0.84 LMNA (0.48) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL14616200 0.84 EPHX1 (0.52) KISS1RHTR2AHRH1LMNAEPHX1
SCHEMBL21337579 0.82 EPHX1 (0.50) LMNAEPHX1
SCHEMBL8222217 0.82 EPHX1 (0.50) LMNAEPHX1

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
US-20190227041-A1 Systems and Methods for Pesticide Detection PERKINELMER U.S. LLC 2019-07-25 US disclosed