SCHEMBL648571

SCHEMBL648571

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
F2R P25116 1/20 0.38
PTGS2 P35354 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL649407 0.92 C5AR1 (0.49) C5AR1DRD2DRD3F2RHTR2A
SCHEMBL1913036 0.89 C5AR1 (0.55) C5AR1PTGS2LMNASMN1; SMN2L3MBTL1
SCHEMBL648019 0.88 C5AR1 (0.44) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL1913040 0.87 C5AR1 (0.43) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL647851 0.87 C5AR1 (0.44) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL649515 0.85 C5AR1 (0.43) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL651675 0.84 HTR2A (0.42) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL651654 0.84 C5AR1 (0.42) C5AR1DRD2DRD3F2RHTR2A
SCHEMBL653205 0.84 C5AR1 (0.42) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL647995 0.82 C5AR1 (0.56) C5AR1F2RPTGS2LMNASMN1; SMN2

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