SCHEMBL649882

SCHEMBL649882

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
P2RX7 Q99572 3/20 0.36
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CRHR1 P34998 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
BCHE P06276 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL5136898 0.91 C5AR1 (0.43) C5AR1UBE2MDCUN1D1TSHRMAPT
SCHEMBL650606 0.91 MAPT (0.41) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL648503 0.91 C5AR1 (0.47) C5AR1UBE2MDCUN1D1TSHRALDH1A1
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL650473 0.90 C5AR1 (0.41) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL1913005 0.89 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTCRHR1
SCHEMBL647750 0.89 C5AR1 (0.39) C5AR1P2RX7TSHRMAPTALDH1A1
SCHEMBL653383 0.89 C5AR1 (0.39) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL652220 0.89 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTCRHR1

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