SCHEMBL28867446

SCHEMBL28867446

O=C1CCC(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 5/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 3/20 0.46
GRM5 P41594 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
SCHEMBL29948611 0.81 HTT (0.48) HTR1AHTTKMT2ADRD2DRD4
SCHEMBL23536471 0.81 HTT (0.48) HTR1AHTTKMT2ADRD2DRD4
SCHEMBL29931897 0.77 CTSB (0.49) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL23536225 0.77 CTSB (0.49) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL1274938 0.77 HTT (0.73) HTR1AHTTKMT2ADRD4ALDH1A1
SCHEMBL7715875 0.75 LMNA (0.59) HTR1AHTTKMT2ADRD2DRD4
Ethylene SCHEMBL7714748 0.73 LMNA (0.56) HTR1AHTTKMT2ADRD2DRD4
SCHEMBL27351820 0.73 DRD2 (0.58) HTR1AHTTKMT2ADRD2DRD4
SCHEMBL13790192 0.72 HTT (0.63) HTR1AHTTKMT2ADRD4ALDH1A1
SCHEMBL23536279 0.72 HTR1A (0.58) HTR1AHTTKMT2ADRD2DRD4

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
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed