SCHEMBL648165

SCHEMBL648165

CCCCn1c(-c2ccccc2)nc(C=C(CC)C(=O)O)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PKM P14618 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEP1B Q16820 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL651050 0.88 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5137896 0.87 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5137906 0.87 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650557 0.86 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650114 0.85 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648161 0.84 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651404 0.84 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648435 0.84 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648436 0.84 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651405 0.84 C5AR1 (0.60) 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