SCHEMBL8601600

SCHEMBL8601600

O=CCC1Cc2cc(Cl)ccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.65
HTR2A P28223 6/20 0.51
HTR2C P28335 6/20 0.51
DRD3 P35462 6/20 0.51
HTR1A P08908 5/20 0.51
HTR7 P34969 5/20 0.51
DRD2 P14416 4/20 0.51
SIGMAR1 Q99720 3/20 0.51
HTR2B P41595 2/20 0.51
HRH1 P35367 1/20 0.51
DRD4 P21917 4/20 0.45
SLC6A4 P31645 2/20 0.42
DRD1 P21728 2/20 0.42
CYP19A1 P11511 1/20 0.42
ACHE P22303 2/20 0.40

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
SCHEMBL8598468 0.88 METAP1 (0.50) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8873164 0.88 METAP1 (0.50) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL9431207 0.85 METAP1 (0.51) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8595405 0.84 METAP1 (0.60) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8873827 0.84 METAP1 (0.60) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8595401 0.84 METAP1 (0.60) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8598434 0.82 METAP1 (0.43) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8873213 0.82 METAP1 (0.43) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8599815 0.81 DRD3 (0.49) METAP1HTR2AHTR2CDRD3HTR1A
SCHEMBL8873012 0.81 DRD3 (0.49) METAP1HTR2AHTR2CDRD3HTR1A

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-0657426-B1 Tricyclic pyrrole derivatives HOFFMANN LA ROCHE (CH) 1998-07-22 EP disclosed
EP-0657426-A2 Tricyclic pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed