SCHEMBL648977

SCHEMBL648977

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(OC)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 5/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
PDE2A O00408 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 3/20 0.33
CRHR1 P34998 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL5135971 0.95 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTPDE2A
SCHEMBL1913032 0.94 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTPDE2A
SCHEMBL651033 0.93 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL651956 0.92 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL649156 0.92 C5AR1 (0.42) C5AR1TSHRMAPK1ALDH1A1HTT
SCHEMBL650460 0.92 C5AR1 (0.40) C5AR1TSHRALDH1A1HTTPDE2A
SCHEMBL648415 0.92 TLR7 (0.40) C5AR1TLR7MAPTNR1H3
SCHEMBL648790 0.91 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL649675 0.91 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL1912975 0.90 TSHR (0.49) C5AR1TSHRMAPK1ALDH1A1HTT

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