SCHEMBL651133

SCHEMBL651133

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CCOCC)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GBA1 P04062 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL651263 0.93 C5AR1 (0.59) C5AR1TSHRALDH1A1MAPK1OPRM1
SCHEMBL651132 0.92 C5AR1 (0.51) C5AR1TSHRMAPTALDH1A1MAPK1
SCHEMBL5135936 0.92 C5AR1 (0.63) C5AR1TSHRMAPTALDH1A1L3MBTL1
SCHEMBL5135734 0.92 C5AR1 (0.63) C5AR1TSHRMAPTL3MBTL1SMN1; SMN2
SCHEMBL648720 0.91 C5AR1 (0.64) C5AR1TSHRMAPTALDH1A1MAPK1
SCHEMBL1912839 0.91 C5AR1 (0.66) C5AR1TSHRMAPTALDH1A1MAPK1
SCHEMBL648955 0.90 C5AR1 (0.58) C5AR1TSHRALDH1A1MAPK1OPRM1
SCHEMBL5071329 0.89 C5AR1 (0.60) C5AR1TSHRMAPTALDH1A1L3MBTL1
SCHEMBL4765639 0.89 C5AR1 (0.64) C5AR1TSHRMAPTALDH1A1L3MBTL1
SCHEMBL5135701 0.89 C5AR1 (0.64) C5AR1TSHRMAPTALDH1A1L3MBTL1

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 8 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed