SCHEMBL6581005

SCHEMBL6581005

O=C1CCCc2c1c1cccc3c1n2CCC3O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
DYRK1A Q13627 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RORC P51449 1/20 0.33
ADRB2 P07550 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
OPRM1 P35372 2/20 0.32
JAK3 P52333 2/20 0.32

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
SCHEMBL7435546 0.75 KMT2A (0.46) CDK4CCND1HTR2AHTR2C
SCHEMBL6585617 0.74 CSNK2B (0.38) DYRK1AHDAC1HDAC6HTR2AHTR2C
SCHEMBL5421535 0.74 HSD17B10 (0.52) CDK4CCND1HTR2AHTR2C
SCHEMBL7326732 0.71 HSD17B10 (0.52) CDK4CCND1HTR2AHTR2C
SCHEMBL7001177 0.70 ADRB2 (0.44) POLLBCHEACHECDK4CCND1
SCHEMBL8446330 0.69 CYP3A4 (0.59) CDK4CCND1HDAC1HDAC6
SCHEMBL8444298 0.69 CYP3A4 (0.59) CDK4CCND1HDAC1HDAC6
SCHEMBL8446837 0.69 CYP3A4 (0.59) CDK4CCND1HDAC1HDAC6
Hydrochloric Acid SCHEMBL6582902 0.68 CYP3A4 (0.58) CDK4CCND1HDAC1HDAC6
4,8-Dihydroxy-1-Tetralone SCHEMBL30966482 0.64 POLL (0.62) POLLHTR2AHTR2C

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
EP-1424337-A1 4-hydroxy derivatives of 5,6,9,10-tetrahydro-10-((2-methyl-1h-imidazol-1-yl)methyl)-4h-pyrido-(3,2,1-jk)-carbazol-11(8h)-one Solvay Pharmaceuticals GmbH (DE) 2004-06-02 EP disclosed
EP-1424337-A1 4-hydroxy derivatives of 5,6,9,10-tetrahydro-10-((2-methyl-1h-imidazol-1-yl)methyl)-4h-pyrido-(3,2,1-jk)-carbazol-11(8h)-one Solvay Pharmaceuticals GmbH (DE) 2004-06-02 EP disclosed