SCHEMBL6015546

SCHEMBL6015546

Nc1nc(O)nc2cccc(OC3CCOC3)c12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 8/20 0.50
DHFR P00374 3/20 0.50
QPCT Q16769 3/20 0.42
QPCTL Q9NXS2 3/20 0.42
HTR4 Q13639 1/20 0.38
MCHR1 Q99705 1/20 0.37
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.35
LRRK2 Q5S007 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL6015554 0.93 DCPS (0.55) DCPSDHFRQPCTQPCTLHTR4
SCHEMBL30210995 0.88 DCPS (0.61) DCPSDHFRKCNH2
SCHEMBL6015537 0.80 HRH1 (0.43) DCPSDHFRQPCTQPCTL
SCHEMBL6015543 0.78 DCPS (0.80) DCPSDHFRMCHR1
SCHEMBL13982643 0.77 QPCT (0.43) DCPSDHFRQPCTQPCTLHTR4
SCHEMBL5803519 0.75 DCPS (0.40) DCPSDHFRQPCTQPCTLHTR4
SCHEMBL6015544 0.74 DCPS (0.57) DCPSDHFR
SCHEMBL25959258 0.74 TLR7 (0.38) DCPSDHFRHTR4MCHR1LRRK2
SCHEMBL15741371 0.72 SRC (0.52) DCPSDHFR
SCHEMBL6015535 0.71 DCPS (0.54) DCPSDHFR

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-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed