SCHEMBL12435658

SCHEMBL12435658

COc1cc(N)cc(OC)c1OCCN1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.77
TSHR P16473 2/20 0.60
CYP2D6 P10635 1/20 0.60
POLB P06746 2/20 0.51
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL2087346 0.93 CYP2D6 (0.71) SYKTSHRCYP2D6HTR2BMEN1
SCHEMBL4038948 0.92 CYP2D6 (0.65) SYKTSHRCYP2D6MEN1KMT2A
SCHEMBL2088116 0.92 SYK (0.65) SYKTSHRCYP2D6POLBHTR2C
SCHEMBL10196165 0.87 SYK (1.00) SYKTSHRCYP2D6POLBMEN1
SCHEMBL6992013 0.87 POLB (0.68) SYKCYP2D6POLBHTR2CHTR2B
SCHEMBL6314286 0.85 SYK (0.56) SYKTSHRCYP2D6POLBMEN1
SCHEMBL4036604 0.85 CYP2D6 (0.60) SYKTSHRCYP2D6HTR2BSMN1; SMN2
SCHEMBL2085669 0.83 SYK (0.58) SYKTSHRCYP2D6POLBHTR2C
SCHEMBL212928 0.83 HTR2C (0.59) SYKTSHRCYP2D6POLBHTR2C
SCHEMBL3426969 0.82 SYK (0.59) SYKCYP2D6POLBMEN1KMT2A

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-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed