SCHEMBL28310702

SCHEMBL28310702

Cc1cccc(C2C[CH]CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
PROKR1 Q8TCW9 1/20 0.40
KMO O15229 1/20 0.39
ALOX15B O15296 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3687424 0.82 HTR2C (0.65) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL3069922 0.81 HTR2C (0.69) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL2538410 0.81 HTR2C (0.69) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL27434393 0.80 HTR2C (0.67) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL3062414 0.80 HTR2C (0.67) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL29097441 0.78 ALDH1A1 (0.41) PROKR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL780217 0.77 SLC18A3 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1515269 0.77 HTR2C (0.74) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL17090721 0.76 KMO (0.40) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL2145468 0.72 HTR2C (0.67) HTR2CDRD2DRD1DRD4DRD5

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-110105276-A A kind of 2- quinolinone compounds and preparation method thereof 红河学院 2019-08-09 CN disclosed