SCHEMBL647602

SCHEMBL647602

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(Cl)c(C(F)(F)F)c1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CCR4 P51679 3/20 0.37
CRHR1 P34998 11/20 0.36
HDAC1 Q13547 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHODH Q02127 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
SCHEMBL5135213 0.91 C5AR1 (0.42) C5AR1CCR4CRHR1HDAC1KDM4E
SCHEMBL5136646 0.91 C5AR1 (0.45) C5AR1CRHR1HDAC1KDM4EALDH1A1
SCHEMBL649094 0.91 C5AR1 (0.43) C5AR1CCR4CRHR1HDAC1KDM4E
SCHEMBL651006 0.90 C5AR1 (0.42) C5AR1CCR4CRHR1HDAC1KDM4E
SCHEMBL650928 0.89 C5AR1 (0.43) C5AR1CCR4CRHR1HDAC1KDM4E
SCHEMBL1912954 0.88 C5AR1 (0.45) C5AR1CRHR1TP53MAPTTSHR
SCHEMBL5134723 0.87 C5AR1 (0.42) C5AR1CCR4CRHR1KDM4EALDH1A1
SCHEMBL5135678 0.87 C5AR1 (0.43) C5AR1HDAC1MAPTKDM4EALDH1A1
SCHEMBL649008 0.87 C5AR1 (0.45) C5AR1CRHR1TP53MAPTKDM4E
SCHEMBL647762 0.87 C5AR1 (0.39) C5AR1CCR4CRHR1HDAC1

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