SCHEMBL6205345

SCHEMBL6205345

COC([O])Cc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TAAR1 Q96RJ0 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOB P27338 4/20 0.44
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
MAPT P10636 1/20 0.40
CTSB P07858 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 2/20 0.39

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
SCHEMBL6204382 0.80 SLC1A1 (0.46) IDO1TAAR1MAOB
SCHEMBL6204551 0.80 TAAR1 (0.64) IDO1TAAR1ALDH1A1
SCHEMBL6203635 0.80 PNMT (0.58) IDO1TAAR1MAPTCTSBPOLB
SCHEMBL1357677 0.78 TAAR1 (0.46) TAAR1CYP2D6MAOA
SCHEMBL6205347 0.78 IDO1 (0.47) IDO1TAAR1ALDH1A1CYP2D6MAOB
SCHEMBL6204601 0.76 PKM (0.41) IDO1TAAR1ACHE
SCHEMBL7694117 0.76 TAAR1 (0.50) IDO1TAAR1ALDH1A1CYP2D6MAOB
SCHEMBL22264858 0.76 PPARG (0.56) IDO1POLB
SCHEMBL22264856 0.76 PPARG (0.56) IDO1POLB
SCHEMBL31321016 0.76 PPARG (0.56) IDO1POLB

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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed