SCHEMBL649946

SCHEMBL649946

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)OC)c(N)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
UBE2M P61081 4/20 0.39
DCUN1D1 Q96GG9 4/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
NSD2 O96028 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TSHR P16473 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL649436 0.90 C5AR1 (0.54) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL648841 0.88 C5AR1 (0.65) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL650118 0.86 C5AR1 (0.63) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL651025 0.86 C5AR1 (0.48) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL648929 0.86 C5AR1 (0.55) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL649896 0.86 C5AR1 (0.57) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL1912842 0.85 C5AR1 (0.62) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL1913048 0.85 C5AR1 (0.56) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1
SCHEMBL650920 0.84 C5AR1 (0.59) C5AR1ALDH1A1NPSR1KDM4EMAPT
SCHEMBL649792 0.84 C5AR1 (0.62) C5AR1ALDH1A1NPSR1UBE2MDCUN1D1

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