SCHEMBL28295738

SCHEMBL28295738

Brc1ccccc1C(c1c[nH]c2ccccc12)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5260086 0.81 GPR84 (0.47) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL5261760 0.80 GPR84 (0.46) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL28093308 0.76 P4HB (0.44) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL25113793 0.76 MAPT (0.53) GPR84FFAR1ALDH1A1MAPTHTR2A
SCHEMBL28293968 0.74 NR3C1 (0.61) OPRL1ALDH1A1L3MBTL1LMNAHTT
SCHEMBL6985439 0.74 MAPK1 (0.48) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL9456621 0.74 GPR84 (0.54) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL28295795 0.71 P4HB (0.49) GPR84FFAR1MAPTKMT2AMEN1
SCHEMBL11577771 0.70 LMNA (0.44) GPR84FFAR1ALDH1A1L3MBTL1LMNA
SCHEMBL28293849 0.69 LMNA (0.44) GPR84FFAR1ALDH1A1L3MBTL1LMNA

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-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN claimed
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN disclosed