SCHEMBL25699276

SCHEMBL25699276

CNCCCN1Cc2ccccc2/C=C\c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.52
SLC6A4 P31645 5/20 0.52
CYP3A4 P08684 3/20 0.52
SLC6A3 Q01959 3/20 0.52
CHRM2 P08172 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM1 P11229 2/20 0.52
DRD2 P14416 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
NFKB1 P19838 2/20 0.52
CHRM3 P20309 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
ADRA1A P35348 2/20 0.52
HRH1 P35367 2/20 0.52
DRD3 P35462 2/20 0.52
THPO P40225 2/20 0.52
OPRK1 P41145 2/20 0.52
HTR2B P41595 2/20 0.52

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
SCHEMBL27271336 0.80 ALDH1A1 (0.47) SLC6A2SLC6A4SLC6A3CHRM2CYP2D6
Mezepine SCHEMBL38660320 0.79 SLC6A2 (0.55) SLC6A2SLC6A4CYP3A4SLC6A3CHRM2
Mezepine SCHEMBL2110147 0.79 SLC6A2 (0.55) SLC6A2SLC6A4CYP3A4SLC6A3CHRM2
SCHEMBL25697533 0.79 HDAC3 (0.51) DRD2LMNAMTNR1AMTNR1B
SCHEMBL25698882 0.77 HDAC3 (0.45) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL8199134 0.77 SLC6A2 (0.63) SLC6A2SLC6A4CYP3A4SLC6A3CHRM2
SCHEMBL19662730 0.77 HSD17B3 (0.48) MAPK1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL20139341 0.76 KDM4E (0.47) SLC6A4DRD2HTR2AHRH1DRD3
SCHEMBL20139342 0.76 KDM4E (0.47) SLC6A4DRD2HTR2AHRH1DRD3
SCHEMBL27090004 0.75 HDAC3 (0.46) DRD2MAPK1SCN5AMEN1KMT2A

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-2023107415-A1 COMPOSITIONS COMPRISING MODIFIED PHOSPHOLIPIDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-06-15 WO disclosed