SCHEMBL651679

SCHEMBL651679

CCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
KDM4E B2RXH2 3/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
ALPG P10696 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL649661 0.94 C5AR1 (0.66) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL651515 0.94 C5AR1 (0.51) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL1912840 0.92 C5AR1 (0.63) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL650054 0.91 C5AR1 (0.49) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL649913 0.91 C5AR1 (0.64) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL652877 0.90 C5AR1 (0.66) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL648474 0.90 C5AR1 (0.63) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL1912835 0.90 C5AR1 (0.63) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL652376 0.88 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1TSHRPPARG
SCHEMBL14572898 0.88 C5AR1 (0.46) C5AR1KDM4EGFERSMN1; SMN2TDP1

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