SCHEMBL14724285

SCHEMBL14724285

C=C(CCCNC)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
KISS1R Q969F8 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
SCHEMBL22271619 0.91 EPHX1 (0.41) EPHX1
SCHEMBL23075809 0.85 HSD17B10 (0.30)
SCHEMBL24910867 0.79 HRH4 (0.33)
SCHEMBL24606379 0.77
SCHEMBL25698198 0.76
SCHEMBL21064463 0.74 KDM4E (0.52)
SCHEMBL23992720 0.73 KISS1R (0.34) KISS1R
SCHEMBL5204225 0.72
SCHEMBL4819387 0.72
SCHEMBL18660928 0.72 ALDH1A1 (0.42)

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
EP-1753725-B1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI SA (FR) 2013-02-27 EP disclosed