SCHEMBL14546567

SCHEMBL14546567

CCc1c(C)cccc1[C@H](C)c1c[nH]c(=S)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.38
▸ ADRA2B P18089 4/20 0.38
▸ ADRA2C P18825 4/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ ADRA1B P35368 3/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
Rezatomidine SCHEMBL7799658 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1B
Rezatomidine SCHEMBL29376551 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1B
Rezatomidine SCHEMBL676215 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1B
Rezatomidine SCHEMBL345466 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL9621062 0.77 GABRA1 (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8510363 0.75 GABRA1 (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3709658 0.75 GABRA1 (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8510869 0.75 GABRA1 (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3749391 0.72 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3418059 0.72 CYP1A2 (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1B

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-1663206-B1 1-(2,3-DIMETHYL-PHENYL)-ETHYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS NON-SEDATING ALPHA 2A AGONIST ALLERGAN INC (US) 2007-04-04 — — EP disclosed
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