SCHEMBL651675

SCHEMBL651675

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1cccc(OC(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HTR2B P41595 5/20 0.42
HTR2C P28335 4/20 0.42
C5AR1 P21730 1/20 0.42
F2R P25116 1/20 0.38
LMNA P02545 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL1913040 0.94 C5AR1 (0.43) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL649515 0.92 C5AR1 (0.43) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL649407 0.92 C5AR1 (0.49) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL651654 0.91 C5AR1 (0.42) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL650053 0.88 C5AR1 (0.38) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL647851 0.86 C5AR1 (0.44) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL648019 0.86 C5AR1 (0.44) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL648571 0.84 C5AR1 (0.42) HTR2AHTR2BHTR2CC5AR1F2R
SCHEMBL650502 0.84 C5AR1 (0.51) HTR2AHTR2BHTR2CC5AR1LMNA
SCHEMBL648536 0.84 C5AR1 (0.54) HTR2AHTR2BHTR2CC5AR1F2R

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