SCHEMBL16166478

SCHEMBL16166478

O=C1CC2(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)c2cn[nH]c2N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.47
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10973431 0.84 C5AR1 (0.53) C5AR1LMNAPOLBSMN1; SMN2
SCHEMBL4958399 0.75 AKR1B1 (0.51) C5AR1PTGDR2
SCHEMBL16166357 0.75 SCN9A (0.46) MEN1KMT2APTGDR2MAPTHTR1A
SCHEMBL16166319 0.74 PTGDR2 (0.47) PTGDR2SCN9A
SCHEMBL16166561 0.72 PTGDR2 (0.36) PTGDR2
SCHEMBL10978203 0.69 SCN9A (0.54) MAPTTP53SCN9A
SCHEMBL4961382 0.69 PTGDR2 (0.54) PTGDR2
SCHEMBL4962400 0.67 PTGDR2 (0.53) PTGDR2
SCHEMBL10804112 0.66 APAF1 (0.47) KMT2AMAPTTP53SCN9A
SCHEMBL10974094 0.66 PTGDR2 (0.61) PTGDR2MAPTTP53

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
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