SCHEMBL18153280

SCHEMBL18153280

Nc1cc(Oc2ccc(F)cc2)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
TRPC6 Q9Y210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PARP1 P09874 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
SLC6A7 Q99884 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18153255 0.87 SCN9A (0.44) SCN9ASMN1; SMN2FFAR4SLC6A2SLC6A4
SCHEMBL18162598 0.85 S1PR2 (0.49)
SCHEMBL18153346 0.77 CCNE1 (0.48) SCN9A
SCHEMBL18162356 0.73 S1PR2 (0.48)
SCHEMBL29931498 0.72 NCF1 (0.42) HSD17B10
SCHEMBL18153338 0.70 S1PR2 (0.46) HRH3
SCHEMBL18153377 0.70 S1PR2 (0.46)
SCHEMBL18162579 0.70 S1PR2 (0.45)
SCHEMBL20239355 0.70 DGAT2 (0.48) SCN9ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL18162573 0.69 S1PR2 (0.44) SMN1; SMN2

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
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed