SCHEMBL25835838

SCHEMBL25835838

CN1C2=C(CCC=C2)CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.37
HTR2A P28223 5/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
ALDH1A1 P00352 4/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
HTR2C P28335 4/20 0.36
ADRA1A P35348 4/20 0.36
HRH1 P35367 4/20 0.36
HTR2B P41595 4/20 0.36
KCNH2 Q12809 4/20 0.36
LMNA P02545 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL22697531 0.91 MEN1 (0.38) SETD7HTR2ASLC6A2SLC6A4ALDH1A1
SCHEMBL22044322 0.87 DRD1 (0.34) SETD7HTR2ASLC6A2SLC6A4ALDH1A1
SCHEMBL22879429 0.81 CYP1A2 (0.38) HTR2AADRA2BADRA2CHTR2CADRA1A
SCHEMBL22879393 0.79 HSD17B3 (0.38) HTR2ASLC6A2SLC6A4ALDH1A1ADRA2B
SCHEMBL16622716 0.76 SLC6A2 (0.67) HTR2ASLC6A2SLC6A4ALDH1A1ADRA2B
SCHEMBL12337353 0.74 HTR2A (0.36) HTR2ASLC6A2SLC6A4ALDH1A1ADRA2B
SCHEMBL2604390 0.74 MAOA (0.52) HTR2ASLC6A2SLC6A4ALDH1A1ADRA2B
SCHEMBL31067335 0.73 BRPF1 (0.33) SETD7HTR2ASLC6A2SLC6A4ALDH1A1
SCHEMBL1996858 0.73 BRPF1 (0.33) SETD7HTR2ASLC6A2SLC6A4ALDH1A1
SCHEMBL12952463 0.70 MAOA (0.50) SETD7SLC6A2SLC6A4ALDH1A1ADRA2B

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-3483141-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORP (JP) 2023-07-19 EP disclosed