SCHEMBL651654

SCHEMBL651654

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)c(F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
F2R P25116 2/20 0.38
HTR2A P28223 10/20 0.38
HTR2B P41595 10/20 0.38
HTR2C P28335 9/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 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
SCHEMBL1913040 0.92 C5AR1 (0.43) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL649407 0.92 C5AR1 (0.49) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL651675 0.91 HTR2A (0.42) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL648019 0.86 C5AR1 (0.44) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL647851 0.86 C5AR1 (0.44) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL649515 0.85 C5AR1 (0.43) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL648571 0.84 C5AR1 (0.42) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL653205 0.83 C5AR1 (0.42) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL651893 0.82 C5AR1 (0.59) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL648524 0.81 C5AR1 (0.55) C5AR1HTR2AHTR2BHTR2CLMNA

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