SCHEMBL30952647

SCHEMBL30952647

NCCc1c[nH]c2cc(F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 1.00
MPO P05164 8/20 0.76
TRPM8 Q7Z2W7 1/20 0.76
HTR1A P08908 2/20 0.73
KMT2A Q03164 2/20 0.73
GPR84 Q9NQS5 1/20 0.69
HTR2C P28335 2/20 0.66
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR7 P34969 1/20 0.59
CTSK P43235 1/20 0.59
HTR6 P50406 1/20 0.59
CYP2A13 Q16696 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59

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
SCHEMBL743153 1.00 HTR2A (1.00) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL28368250 1.00 HTR2A (1.00) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL17819282 0.98 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL32678247 0.98 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Methane SCHEMBL274681 0.98 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL275030 0.98 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL32678244 0.98 HTR2A (0.97) HTR2AMPOTRPM8HTR1AKMT2A
Cyanide SCHEMBL28691191 0.95 HTR2A (0.91) HTR2AMPOTRPM8HTR1AKMT2A
Oxalic Acid SCHEMBL2539797 0.91 HTR2A (0.83) HTR2AMPOTRPM8HTR1AKMT2A
Fumaric Acid SCHEMBL31240167 0.87 HTR2A (0.76) HTR2AMPOTRPM8HTR1AKMT2A

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 2 patents. 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
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed