SCHEMBL31068463

SCHEMBL31068463

NCCc1c[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.68
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
HTR2C P28335 3/20 0.56
HTR1B P28222 8/20 0.54
HTR1A P08908 8/20 0.54
HTR1D P28221 7/20 0.54
TRPM8 Q7Z2W7 3/20 0.52
CYP1A2 P05177 2/20 0.52
NFKB1 P19838 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTR4 Q13639 1/20 0.52
PMP22 Q01453 2/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MPO P05164 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL2539593 1.00 HTR2A (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
Hydrochloric Acid SCHEMBL31534070 0.99 KMT2A (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL2534378 0.89 HTR1A (0.68) HTR2AKMT2AHTR2CHTR1BHTR1A
Hydrochloric Acid SCHEMBL21546053 0.87 NPSR1 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
Hydrochloric Acid SCHEMBL31181453 0.87 NPSR1 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL31068472 0.82 HTR6 (0.71) HTR2AKMT2AHTR2CHTR1BHTR1A
Oxalic Acid SCHEMBL2540213 0.82 CYP1A2 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL379337 0.81 HTR2A (1.00) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL29874859 0.81 HTR2A (1.00) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL2537626 0.78 HTR2A (0.74) HTR2AKMT2AMEN1HTR2CHTR1B

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-2024178504-A1 TRI-HALO-ALKOXY-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING Enveric Biosciences Canada Inc. (CA) 2024-09-06 WO disclosed