SCHEMBL650241

SCHEMBL650241

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCCO2)CC1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE2A O00408 1/20 0.33
HDAC1 Q13547 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CTSL P07711 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 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
SCHEMBL647648 0.96 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5135945 0.94 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL651344 0.92 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912839 0.90 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649149 0.89 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5135701 0.88 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL4765639 0.88 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912857 0.88 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648634 0.88 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649255 0.87 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1

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