SCHEMBL18722013

SCHEMBL18722013

CCOCc1ccc(C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
ESR2 Q92731 1/20 0.33

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
SCHEMBL12733657 1.00 ADRA1A (0.35) ADRA1AESR2
SCHEMBL12736620 0.93 HTR1A (0.35) ADRA1A
SCHEMBL12740223 0.93 HTR1A (0.35) ADRA1A
SCHEMBL12734916 0.90 OPRL1 (0.32) ADRA1A
SCHEMBL12739692 0.90 OPRL1 (0.32) ADRA1A
SCHEMBL12716117 0.88 ADRA1A (0.35) ADRA1AESR2
SCHEMBL12740633 0.88 SCN9A (0.39) ADRA1A
SCHEMBL12735811 0.88 SCN9A (0.39) ADRA1A
SCHEMBL10301657 0.87 ADRA1A (0.34) ADRA1A
SCHEMBL13586076 0.87 ADRA1A (0.34) ADRA1AESR2

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-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed