SCHEMBL8327428

SCHEMBL8327428

O=C1CC2(Cc3cc4ccccc4n3C2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
CRBN Q96SW2 9/20 0.39
DDB1 Q16531 3/20 0.39
NOTUM Q6P988 1/20 0.39
HTR1A P08908 1/20 0.33
SIGMAR1 Q99720 3/20 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
SCHEMBL9394920 0.88 HTR2A (0.43) HTR2AHTR2CCRBNDDB1NOTUM
SCHEMBL8325900 0.87 HTR2A (0.46) HTR2AHTR2CCRBNDDB1NOTUM
SCHEMBL8325766 0.79 CRBN (0.46) HTR2AHTR2CCRBNNOTUM
SCHEMBL8327354 0.75 HTR2A (0.40) HTR2AHTR2CCRBNDDB1NOTUM
SCHEMBL8328249 0.68 HTR2A (0.44) HTR2AHTR2CNOTUMHTR1ASIGMAR1
SCHEMBL8327600 0.67 HTR2A (0.44) HTR2AHTR2CCRBNDDB1NOTUM
SCHEMBL8328678 0.66 HTR2A (0.47) HTR2AHTR2CNOTUM
SCHEMBL4879783 0.65 HTR2A (0.53) HTR2AHTR2CNOTUMHTR1ASIGMAR1
SCHEMBL259592 0.63 CRBN (0.44) CRBNDDB1
SCHEMBL8328958 0.63 HTR2A (0.49) HTR2AHTR2CNOTUMSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed