SCHEMBL27220930

SCHEMBL27220930

CCCCCCN(CCCc1cnc(C)n1C)CCCc1cnc(C)n1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.37
KCNH2 Q12809 5/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MCHR1 Q99705 1/20 0.33
HSD11B1 P28845 1/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27220884 1.00 TLR7 (0.37) TLR7KCNH2HRH4HRH3GPR84
SCHEMBL27220889 1.00 TLR7 (0.37) TLR7KCNH2HRH4HRH3GPR84
SCHEMBL27220914 0.98 TLR7 (0.35) TLR7KCNH2HRH4HRH3GPR84
SCHEMBL27220827 0.94 ALDH1A1 (0.34) TLR7HRH3HSD11B1ALDH1A1POLB
SCHEMBL27220916 0.91 ALDH1A1 (0.31) TLR7HRH4HRH3ALDH1A1POLB
SCHEMBL27220869 0.91 TBXAS1 (0.31) HRH4HRH3TBXAS1
SCHEMBL27839146 0.87 TLR7 (0.45) TLR7KCNH2HRH4HRH3GPR84
SCHEMBL27220906 0.86 KCNH2 (0.40) KCNH2HRH4HRH3OPRM1DRD3
SCHEMBL1461161 0.84 HSD11B1 (0.41) TLR7HRH3GPR84HSD11B1TBXAS1
SCHEMBL27220860 0.80 ALDH1A1 (0.31) ALDH1A1

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
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP claimed