SCHEMBL31243559

SCHEMBL31243559

CC1(C)CCc2ccc(Cl)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
AR P10275 8/20 0.44
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
SRD5A1 P18405 1/20 0.42
CHEK1 O14757 1/20 0.42
LIMK1 P53667 1/20 0.42
KDM1A O60341 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PDE7A Q13946 1/20 0.40
HTR5A P47898 1/20 0.39
HTR2B P41595 1/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL10841146 0.86 AR (0.47) HTR2AHTR2CARAHRSRD5A1
SCHEMBL16158285 0.80 AR (0.43) ARHTR5APGRNR3C2
SCHEMBL6649345 0.79 ESR1 (0.43) ARPGRNR3C2
SCHEMBL6649459 0.79 KDM4E (0.50) ARPGRNR3C2
SCHEMBL10840689 0.78 AR (0.49) ARKDM1APGRNR3C2
SCHEMBL23124039 0.75 AR (0.44) ARKDM1APGRNR3C2
SCHEMBL7154079 0.75 MAPT (0.49) PGR
SCHEMBL29789835 0.75 AR (0.44) ARKDM1APGRNR3C2
SCHEMBL6956357 0.74 AHR (0.59) HTR2AHTR2CCMA1AHRCHEK1
SCHEMBL10840122 0.74 AR (0.46) ARPGRNR3C2

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-119060076-A Boron-nitrogen-containing compound, organic electroluminescent device and display device 阜阳欣奕华新材料科技股份有限公司 2024-12-03 CN disclosed