SCHEMBL16166357

SCHEMBL16166357

O=C1CC2(C(=O)N(Cc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)c2cn[nH]c2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.46
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ DRD4 P21917 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL16166319 0.81 PTGDR2 (0.47) SCN9APTGDR2CHRM5
SCHEMBL16166561 0.75 PTGDR2 (0.36) PTGDR2
SCHEMBL16166478 0.75 C5AR1 (0.47) SCN9APTGDR2HTR1AMAPTKDM4E
SCHEMBL16175829 0.67 SCN9A (0.39) SCN9ADRD4HTR1ACHRM5ADRA2A
SCHEMBL10978203 0.65 SCN9A (0.54) SCN9ADRD4ALDH1A1MAPT
SCHEMBL4597206 0.64 SCN9A (1.00) SCN9A
SCHEMBL4960642 0.63 PTGDR2 (0.60) PTGDR2
SCHEMBL10974094 0.63 PTGDR2 (0.61) PTGDR2MAPT
SCHEMBL4960661 0.63 PTGDR2 (0.51) PTGDR2
SCHEMBL14221171 0.63 SCN9A (0.53) SCN9AUSP2ALDH1A1MAPTALOX15

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-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 — — WO disclosed
Send feedback