SCHEMBL648955

SCHEMBL648955

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
TSHR P16473 4/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GNRHR P30968 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
GBA1 P04062 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34

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 0.96 C5AR1 (0.59) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL5135936 0.93 C5AR1 (0.63) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL648975 0.92 C5AR1 (0.51) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL5135734 0.92 C5AR1 (0.63) C5AR1TSHRKDM4EHSD17B10LMNA
SCHEMBL5071329 0.91 C5AR1 (0.60) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL1912839 0.91 C5AR1 (0.66) C5AR1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL5135904 0.90 C5AR1 (0.56) C5AR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL651133 0.90 C5AR1 (0.58) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL5136554 0.90 C5AR1 (0.58) C5AR1TSHRKDM4EHSD17B10LMNA
SCHEMBL650546 0.89 C5AR1 (0.59) C5AR1TSHRALDH1A1KDM4EHPGD

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 9 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
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