SCHEMBL1914729

SCHEMBL1914729

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(O)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.66
CALM1 P0DP23 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 4/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL652033 0.96 C5AR1 (0.64) C5AR1CALM1SMN1; SMN2LMNAL3MBTL1
SCHEMBL650674 0.96 C5AR1 (0.64) C5AR1CALM1SMN1; SMN2LMNAL3MBTL1
SCHEMBL651187 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL653382 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5135929 0.93 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL4767016 0.93 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649255 0.91 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649645 0.90 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL1913064 0.90 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648372 0.90 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR

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