SCHEMBL648161

SCHEMBL648161

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL5137896 0.92 C5AR1 (0.58) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL5137906 0.92 C5AR1 (0.58) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648436 0.86 C5AR1 (0.60) C5AR1TSHRPPARGPPARAPKM
SCHEMBL651404 0.86 C5AR1 (0.60) C5AR1TSHRPPARGPPARAPKM
SCHEMBL648435 0.86 C5AR1 (0.60) C5AR1TSHRPPARGPPARAPKM
SCHEMBL651405 0.86 C5AR1 (0.60) C5AR1TSHRPPARGPPARAPKM
SCHEMBL1913046 0.86 C5AR1 (0.60) C5AR1TSHRPPARGPPARAPKM
SCHEMBL651050 0.86 C5AR1 (0.62) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL650350 0.86 C5AR1 (0.59) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL650557 0.84 C5AR1 (0.62) C5AR1TSHRPPARGPPARASIRT2

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 5 patents. 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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed