SCHEMBL14878701

SCHEMBL14878701

CCC1(C)CC2N(C)C=CN2c2c1ccc1c2oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22751115 0.85 MEN1 (0.31) MEN1CYP2C19KMT2A
SCHEMBL14819936 0.78 MEN1 (0.31) MEN1CYP2C19KMT2A
SCHEMBL21788738 0.77 HRH4 (0.36) MEN1CYP2C19KMT2APGRNPC1
SCHEMBL16558106 0.77 HRH4 (0.36) MEN1CYP2C19KMT2APGRNPC1
SCHEMBL20169280 0.77 MEN1 (0.34) MEN1CYP2C19KMT2APGRNPC1
SCHEMBL24219817 0.73 NPC1 (0.30) NPC1RAB9A
SCHEMBL21415943 0.73 MEN1 (0.31) MEN1CYP2C19KMT2ANPC1RAB9A
SCHEMBL22099997 0.72
SCHEMBL21036897 0.71 MEN1 (0.34) MEN1CYP2C19KMT2APGR
SCHEMBL23017573 0.70 MEN1 (0.34) MEN1CYP2C19KMT2APGRNPC1

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
EP-2096690-B1 Organic electroluminescence device UDC IRELAND LTD (IE) 2013-04-24 EP disclosed