SCHEMBL16835591

SCHEMBL16835591

[c]1ccc(C2(c3cc[c]cc3)CC(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
HTR2A P28223 2/20 0.36
OPRD1 P41143 1/20 0.35
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL11205351 0.89 SIGMAR1 (0.41) SIGMAR1HTR2AOPRD1MEN1CYP3A4
SCHEMBL2779458 0.81 DRD1 (0.38) SIGMAR1HTR2AOPRD1
SCHEMBL30740070 0.81 DRD1 (0.38) SIGMAR1HTR2AOPRD1
SCHEMBL14701152 0.78 MEN1 (0.45) MEN1KMT2A
SCHEMBL16521660 0.76 SIGMAR1 (0.35) SIGMAR1HTR2AMEN1KMT2A
SCHEMBL20492149 0.73 ALOX5AP (0.44) HTR2AMEN1KMT2A
SCHEMBL13588376 0.73 KMT2A (0.44) MEN1KMT2A
SCHEMBL20492181 0.72 ALOX5AP (0.38) MEN1KMT2A
SCHEMBL29666919 0.71 TDP1 (0.51) HTR2AMEN1CYP3A4KMT2A
SCHEMBL15750175 0.71 TDP1 (0.51) HTR2AMEN1CYP3A4KMT2A

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-3083881-A1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS Molecular Glasses, Inc. (US) 2016-10-26 EP disclosed
WO-2015095859-A1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS MOLAIRE CONSULTING LLC (US) 2015-06-25 WO disclosed