SCHEMBL29948611

SCHEMBL29948611

O=[N+]([O-])c1ccccc1N1CCN(CC2CCOC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.47
HTR1A P08908 4/20 0.46
NAMPT P43490 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.43
CTSB P07858 1/20 0.42

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
SCHEMBL23536471 1.00 HTT (0.48) HTTKMT2ADRD4HTR1ANAMPT
SCHEMBL23536225 0.84 CTSB (0.49) HTTKMT2AHTR1AALDH1A1LMNA
SCHEMBL29931897 0.84 CTSB (0.49) HTTKMT2AHTR1AALDH1A1LMNA
SCHEMBL28867446 0.81 HTR1A (0.48) HTTKMT2ADRD4HTR1AMITF
SCHEMBL28867516 0.80 MEN1 (0.47) KMT2AHTR1ANAMPTDRD2
SCHEMBL1274938 0.77 HTT (0.73) HTTKMT2ADRD4HTR1AMITF
SCHEMBL30779614 0.75 CTSB (0.68) HTTKMT2AALDH1A1LMNAMAPT
SCHEMBL2206983 0.75 CTSB (0.68) HTTKMT2AALDH1A1LMNAMAPT
SCHEMBL23536201 0.74 HTT (0.49) HTTKMT2AMITFALDH1A1LMNA
SCHEMBL29932080 0.74 HTT (0.49) HTTKMT2AMITFALDH1A1LMNA

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed