SCHEMBL650546

SCHEMBL650546

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 5/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
GBA1 P04062 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 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
SCHEMBL5135936 0.94 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL5135734 0.92 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL650416 0.92 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL5071329 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1912839 0.91 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL5136554 0.91 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL5135701 0.90 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL4765639 0.90 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL5073846 0.89 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648955 0.89 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1

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