SCHEMBL29954868

SCHEMBL29954868

[C-]#[N+]Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
IDO1 P14902 2/20 0.53
ACP3 P15309 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
MIF P14174 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 3/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL9827773 1.00 HTR2A (0.56) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL4402388 0.81 ACHE (0.40) HTR2AHTR2BHTR2CTAAR1LMNA
SCHEMBL29954604 0.79 IDO1 (0.47) TAAR1IDO1TSHR
SCHEMBL407367 0.79 DHFR (0.39) TAAR1LMNAMAPTSIGMAR1SLC6A4
SCHEMBL7452386 0.78 TAAR1 (0.60) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL5103155 0.77 TAAR1 (0.64) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL3237564 0.77 TAAR1 (0.64) HTR2AHTR2BHTR2CTAAR1IDO1
Bromide SCHEMBL3602086 0.75 TAAR1 (0.62) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL46757 0.75 HTR2A (0.63) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL3643679 0.75 TAAR1 (0.62) HTR2AHTR2BHTR2CTAAR1IDO1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed