SCHEMBL650896

SCHEMBL650896

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.52
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
GNRHR P30968 4/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 2/20 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
SCHEMBL5135513 0.96 C5AR1 (0.58) C5AR1PTGESALOX5GNRHRPPARG
SCHEMBL652444 0.94 C5AR1 (0.51) C5AR1PTGESALOX5GNRHRPPARG
SCHEMBL650916 0.94 C5AR1 (0.58) C5AR1PTGESALOX5PPARGPPARA
SCHEMBL651251 0.94 C5AR1 (0.49) C5AR1PTGESALOX5PPARGPPARA
SCHEMBL5135332 0.93 C5AR1 (0.59) C5AR1GNRHRPPARGPPARAKDM4E
SCHEMBL650570 0.93 C5AR1 (0.55) C5AR1PTGESALOX5PPARGPPARA
SCHEMBL649578 0.91 C5AR1 (0.53) C5AR1PTGESALOX5PPARGPPARA
SCHEMBL652457 0.91 C5AR1 (0.53) C5AR1PTGESALOX5ALDH1A1GAA
SCHEMBL648484 0.90 C5AR1 (0.56) C5AR1GNRHRPPARGPPARAKDM4E
SCHEMBL648086 0.90 C5AR1 (0.55) C5AR1PTGESALOX5PPARGPPARA

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