SCHEMBL29048836

SCHEMBL29048836

C1=Cc2c([nH]c3ccccc23)CC1.c1ccc2c(c1)CCCNN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
DRD1 P21728 5/20 0.36
DRD4 P21917 5/20 0.36
DRD5 P21918 5/20 0.36
DRD3 P35462 4/20 0.36
KDM4E B2RXH2 3/20 0.33
KIF11 P52732 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA1D P25100 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL454277 0.80 HTR2A (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL451446 0.74 MAPT (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31324112 0.74 MAPT (0.47) DRD2DRD1DRD4DRD5DRD3
Acetic Acid SCHEMBL11557557 0.71 MAPT (0.44) KDM4EMEN1KMT2AHTR5ANISCH
SCHEMBL11813586 0.69 TSHR (0.48) KDM4EHTR2CMEN1CYP1A2BLM
SCHEMBL12810775 0.67 GABRP (0.46) KDM4EKIF11HTR2AHTR2CHTR5A
Carbazole SCHEMBL7350867 0.66 KIF11 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1825781 0.65 HTR2A (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18627138 0.64 AHR (0.42) KDM4EKIF11HTR2AHTR2CNR2E1
SCHEMBL209619 0.64 HTR2C (0.48) KDM4EHTR2CMEN1BLMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560828-B Polymerizable compound and optically anisotropic body formed therefrom 江苏创拓新材料有限公司 2024-01-26 CN disclosed
CN-113861128-B Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2023-08-01 CN disclosed