SCHEMBL22201591

SCHEMBL22201591

CCCC1CCC2CC(Cc3cccc(F)c3F)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
CXCR2 P25025 2/20 0.32
GRIK1 P39086 2/20 0.32
TLR4 O00206 1/20 0.32
CHRNA7 P36544 1/20 0.32
ALOX5 P09917 1/20 0.32
RIPK1 Q13546 1/20 0.32
ATM Q13315 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
BCHE P06276 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL22201793 0.81 ADORA2A (0.32) P2RX7HTR2AHTR2C
SCHEMBL4801585 0.80 MAOA (0.40) P2RX7CXCR2TLR4RIPK1HTR2A
SCHEMBL17527894 0.78 MAOA (0.43) P2RX7CXCR2RIPK1HTR2AHTR2C
SCHEMBL7736441 0.77 RIPK1 (0.36) P2RX7TLR4RIPK1BCHE
SCHEMBL7736446 0.77 RIPK1 (0.36) P2RX7TLR4RIPK1BCHE
SCHEMBL7736449 0.77 RIPK1 (0.36) P2RX7TLR4RIPK1BCHE
SCHEMBL14223368 0.74 ATM (0.38) P2RX7CXCR2RIPK1ATMDRD2
SCHEMBL9809549 0.72 MAOB (0.37) P2RX7CXCR2RIPK1
SCHEMBL23644085 0.72 ATM (0.41) CXCR2ATMDRD2HTR2AHRH1
SCHEMBL7566942 0.71 OPRL1 (0.42) HTR2CHTR2B

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
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed