SCHEMBL21769357

SCHEMBL21769357

CN1CC2=CCCC=C2/C=C\c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.33
DRD2 P14416 4/20 0.33
HTR2A P28223 4/20 0.33
HTR6 P50406 3/20 0.33
SLC6A4 P31645 3/20 0.33
HRH1 P35367 3/20 0.33
HTR7 P34969 1/20 0.33
P2RX4 Q99571 8/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
P2RX1 P51575 4/20 0.32
P2RX3 P56373 4/20 0.32
P2RX7 Q99572 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL24201458 0.77 LMNA (0.33) P2RX4P2RX1P2RX3MAPK1LMNA
SCHEMBL22879494 0.73 KMT2A (0.37) HTR1ADRD2HTR2AHTR6SLC6A4
SCHEMBL26811011 0.73 P2RX4 (0.39) P2RX4MTNR1AMTNR1BP2RX1P2RX3
SCHEMBL24201420 0.72 P2RX4 (0.40) P2RX4MTNR1AMTNR1BP2RX1P2RX3
SCHEMBL19198881 0.72 HSD17B3 (0.42) HTR1ADRD2HTR2AHTR6SLC6A4
SCHEMBL1198914 0.65 P2RX4 (0.37) HTR1ADRD2HTR2AHTR6SLC6A4
SCHEMBL29434173 0.65 P2RX4 (0.37) HTR1ADRD2HTR2AHTR6SLC6A4
SCHEMBL12013901 0.65 HTR1A (0.36) HTR1ADRD2HTR2AHTR6SLC6A4
Iodide SCHEMBL7101346 0.64 P2RX4 (0.36) HTR1ADRD2HTR2AHTR6SLC6A4
Hydrochloric Acid SCHEMBL29035745 0.64 MEN1 (0.37) HTR1ADRD2HTR2AHTR6SLC6A4

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
US-20230176063-A1 PHOTOREACTIVE AND CLEAVABLE PROBES FOR TAGGING BIOMOLECULES ACADEMIA SINICA (TW) 2023-06-08 US disclosed
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 EP disclosed