SCHEMBL29613262

SCHEMBL29613262

Cc1ccccc1-c1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HTR2C P28335 4/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTPN5 P54829 2/20 0.35
PTPN2 P17706 1/20 0.35
CXCR5 P32302 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 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
SCHEMBL287733 0.84 S1PR1 (0.38) PTGS2HTR2CS1PR1S1PR5GABRA1
SCHEMBL930219 0.84 HTR2C (0.46) PTGS2HTR2CCXCR5
SCHEMBL11277724 0.84 HTR2C (0.46) PTGS2HTR2CCXCR5
SCHEMBL11868492 0.82 HTR2C (0.47) PTGS2HTR2CCXCR5
SCHEMBL2969965 0.80 PTGS2 (0.40) PTGS2BCHEACHECHRNB2CHRNA4
SCHEMBL4476579 0.79 CHRNB2 (0.57) PTGS2BCHEACHECHRNB2CHRNA4
SCHEMBL28816105 0.79 CHRNB2 (0.57) PTGS2BCHEACHECHRNB2CHRNA4
Phosphine SCHEMBL2085260 0.78 CHRNB2 (0.59) PTGS2BCHEACHECHRNB2CHRNA4
SCHEMBL8130416 0.78 HTR2C (0.64) PTGS2HTR2CS1PR1S1PR5ACHE
SCHEMBL1128179 0.78 HTR2C (0.64) PTGS2HTR2CS1PR1S1PR5ACHE

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
CN-110831942-B Fused indazolopyridinone compounds as antiviral agents 诺华股份有限公司 2023-04-04 CN disclosed
CN-109071447-B Tetracyclic pyridinone compounds as antiviral agents 诺华股份有限公司 2022-04-22 CN disclosed