SCHEMBL7951680

SCHEMBL7951680

CC(C)(C)[Si](OC1CCC(n2cc(C(=O)Nc3ccncc3)c(=O)c3cccnc32)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ELANE P08246 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
PDE4A P27815 5/20 0.40
KCNH2 Q12809 4/20 0.40
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
HTR6 P50406 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
SCHEMBL7951678 1.00 CNR1 (0.43) CNR1CNR2ELANES1PR1S1PR3
SCHEMBL7946333 0.92 ELANE (0.42) ELANES1PR1S1PR3PDE4AKCNH2
SCHEMBL7960486 0.92 ELANE (0.42) ELANES1PR1S1PR3PDE4AKCNH2
SCHEMBL7951625 0.89 KCNH2 (0.37) CNR1CNR2ELANES1PR1S1PR3
SCHEMBL7951623 0.89 KCNH2 (0.37) CNR1CNR2ELANES1PR1S1PR3
SCHEMBL7955415 0.89 PDE4A (0.43) CNR1CNR2S1PR1S1PR3PDE4A
SCHEMBL7960402 0.89 PDE4A (0.43) CNR1CNR2S1PR1S1PR3PDE4A
SCHEMBL7951784 0.88 PDE4A (0.42) ELANES1PR1S1PR3PDE4AKCNH2
SCHEMBL7951781 0.88 PDE4A (0.42) ELANES1PR1S1PR3PDE4AKCNH2
SCHEMBL7960314 0.88 PDE4A (0.46) PDE4AKCNH2PDE4BPDE4CPDE4D

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