SCHEMBL7960486

SCHEMBL7960486

CC(C)(C)[Si](OC1CCC(n2cc(C(=O)Nc3cccnc3)c(=O)c3cccnc32)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
HTT P42858 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
TSHR P16473 1/20 0.39
PKM P14618 2/20 0.39
KCNH2 Q12809 3/20 0.39
PDE4A P27815 1/20 0.39
LRRK2 Q5S007 3/20 0.38
SGMS2 Q8NHU3 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL7946333 1.00 ELANE (0.42) ELANEHTTS1PR1S1PR3TSHR
SCHEMBL7951678 0.92 CNR1 (0.43) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7951680 0.92 CNR1 (0.43) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7951625 0.89 KCNH2 (0.37) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7951623 0.89 KCNH2 (0.37) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7951781 0.88 PDE4A (0.42) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7951784 0.88 PDE4A (0.42) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7955468 0.88 PDE4A (0.51) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7961897 0.88 PDE4A (0.51) ELANES1PR1S1PR3PKMKCNH2
SCHEMBL7960402 0.87 PDE4A (0.43) S1PR1S1PR3PKMKCNH2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed