SCHEMBL650864

SCHEMBL650864

CCCn1c(-c2ccccc2)nc(C)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
C5AR1 P21730 1/20 0.45
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
LMNA P02545 1/20 0.40
LTA4H P09960 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1913102 0.95 C5AR1 (0.52) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL648911 0.92 PTGES (0.46) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL649573 0.92 C5AR1 (0.43) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL650916 0.87 C5AR1 (0.58) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL648636 0.87 C5AR1 (0.51) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL651293 0.87 C5AR1 (0.49) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL648848 0.87 C5AR1 (0.51) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL650282 0.87 C5AR1 (0.51) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL650570 0.85 C5AR1 (0.55) PTGESALOX5C5AR1TSHRALDH1A1
SCHEMBL651504 0.85 C5AR1 (0.49) PTGESALOX5C5AR1TSHRALDH1A1

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 6 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
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed