SCHEMBL16768697

SCHEMBL16768697

C=C(NCc1nccn1C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
FDPS P14324 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TRPM5 Q9NZQ8 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LPO P22079 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MLYCD O95822 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
SCHEMBL16768694 0.84 NAMPT (0.40) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL16768679 0.81 ADORA3 (0.39) OPRK1
SCHEMBL16133684 0.81 MAPT (0.49) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL13212926 0.75 FDPS (0.45) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL13734058 0.75 FDPS (0.49) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL3396713 0.75 OPRK1 (0.46) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL4150247 0.74 OPRK1 (0.43) OPRK1FDPSKMT2AMEN1TRPM5
SCHEMBL21765308 0.73
SCHEMBL5127427 0.73
SCHEMBL1797127 0.73 OPRK1 (0.45) OPRK1FDPSKMT2AMEN1TRPM5

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
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed