SCHEMBL17887764

SCHEMBL17887764

FC(F)(F)Sc1cccc(CC2=NCCN2)c1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 9/20 0.43
▸ ADRA1A P35348 5/20 0.43
▸ ADRA2A P08913 3/20 0.43
▸ ADRA2B P18089 3/20 0.43
▸ ADRA2C P18825 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NISCH Q9Y2I1 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ ADRA1D P25100 4/20 0.42
▸ ADRA1B P35368 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1D P28221 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR1B P28222 2/20 0.36

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
SCHEMBL26078344 0.72 ADRA1A (0.55) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL954867 0.68 TAAR1 (0.70) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL17887759 0.67 ADRA1A (0.51) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL26078346 0.67 ADRA1A (0.51) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL954203 0.66 TAAR1 (0.54) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL26078566 0.64 TAAR1 (0.68) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL953083 0.64 TAAR1 (0.68) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL953100 0.63 TAAR1 (0.62) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL26078582 0.63 TAAR1 (0.55) TAAR1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL26078478 0.63 NISCH (0.59) TAAR1ADRA1AADRA2AADRA2BADRA2C

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-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
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