SCHEMBL19655684

SCHEMBL19655684

c1ccc2c(c1)CNCC(C1CCCCCC1)C2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
PNMT P11086 2/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL11458329 0.80 PRCP (0.44) PRCP
SCHEMBL3886031 0.78 BPTF (0.45)
SCHEMBL3886033 0.78 BPTF (0.45)
SCHEMBL3887869 0.78 BPTF (0.45)
SCHEMBL3886029 0.78 BPTF (0.45)
SCHEMBL29949831 0.76 PLAU (0.44) PRCP
SCHEMBL14990041 0.76 PLAU (0.44) PRCP
SCHEMBL28543039 0.75 MTNR1A (0.40) PRCPMEN1KMT2A
SCHEMBL3886540 0.73 ADRA2A (0.39)
SCHEMBL14760073 0.71 PLAU (0.44) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205425-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-11-30 WO disclosed