SCHEMBL28800959

SCHEMBL28800959

CN(c1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2-c1ccc(-c2ccccc2)cc1)[C@H](CO)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARF1 P84077 1/20 0.55
ARFGAP1 Q8N6T3 1/20 0.55
PPARG P37231 5/20 0.32
PPARD Q03181 3/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
HTR7 P34969 1/20 0.31
PPARA Q07869 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRM5 P41594 1/20 0.30
CSF1R P07333 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL28800958 1.00 ARF1 (0.55) ARF1ARFGAP1PPARGPPARDADORA3
SCHEMBL29358731 0.71 ARF1 (1.00) ARF1ARFGAP1ADORA2A
SCHEMBL30753542 0.71 ARF1 (1.00) ARF1ARFGAP1ADORA2A
SCHEMBL1056417 0.71 ARF1 (1.00) ARF1ARFGAP1ADORA2A
SCHEMBL1056416 0.71 ARF1 (1.00) ARF1ARFGAP1ADORA2A
Water SCHEMBL29794967 0.70 ARF1 (0.98) ARF1ARFGAP1ADORA2A
SCHEMBL18169539 0.56 HCAR1 (0.43) ADORA2A
SCHEMBL2194185 0.56 PDE10A (0.51) PPARGCSF1RHRH3
SCHEMBL9910288 0.55 PPARA (0.65) PPARGPPARDPPARA
SCHEMBL7322626 0.55 TRPA1 (0.53)

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
CN-108865972-B Cell culture solution 布里格海姆妇女医院公司 2022-07-29 CN disclosed