SCHEMBL648736

SCHEMBL648736

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CC(C)NCc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
MAOA P21397 1/20 0.35
PARP1 P09874 2/20 0.35
PPARG P37231 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
BCHE P06276 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CD38 P28907 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
C5AR1 P21730 1/20 0.34

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
SCHEMBL651425 0.91 MTNR1B (0.35) ATMPARP1PPARGMAPTGAA
SCHEMBL648253 0.83 TSHR (0.41) PARP1PPARGMAPTC5AR1
SCHEMBL650278 0.83 C5AR1 (0.40) PARP1PPARGL3MBTL1C5AR1
SCHEMBL648586 0.82 C5AR1 (0.39) PARP1PPARGMAPTBCHEC5AR1
SCHEMBL648873 0.82 MC4R (0.37) ATMPARP1PPARGBCHEMEN1
SCHEMBL649230 0.80 C5AR1 (0.38) PARP1PPARGGAAMEN1KMT2A
SCHEMBL651426 0.80 C5AR1 (0.38) PARP1PPARGGAAMEN1KMT2A
SCHEMBL648105 0.78 C5AR1 (0.38) PARP1MAPTBCHEMEN1KMT2A
SCHEMBL648963 0.78 C5AR1 (0.54) PPARGMAPTGAAMEN1KMT2A
SCHEMBL14572934 0.76 PDK1 (0.40) PARP1PPARGMAPT

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed