SCHEMBL5749652

SCHEMBL5749652

CCCCCCc1ccc2n[c]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.48
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL5747292 1.00 TLR8 (0.48) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL5746267 1.00 TLR8 (0.48) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL5746960 0.88 TLR8 (0.48) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL5747842 0.88 TLR8 (0.48) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL5747288 0.88 TLR8 (0.48) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL28065707 0.78 TLR8 (0.53) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL6289604 0.76 TLR8 (0.55) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL6290855 0.74 TLR8 (0.54) TLR8S1PR4S1PR1S1PR5ESR1
SCHEMBL11690859 0.74 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11222681 0.74 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed