SCHEMBL650502

SCHEMBL650502

CCCCn1c(-c2ccccc2)nc(C(F)(F)C(F)(F)F)c1CN(Cc1cccc(OC(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TSHR P16473 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PPARD Q03181 1/20 0.35
PTPN1 P18031 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL650016 0.94 C5AR1 (0.51) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648707 0.94 C5AR1 (0.52) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL1913042 0.91 C5AR1 (0.52) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648301 0.90 C5AR1 (0.60) C5AR1ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL649780 0.89 C5AR1 (0.60) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648536 0.89 C5AR1 (0.54) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648524 0.88 C5AR1 (0.55) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648504 0.86 C5AR1 (0.51) C5AR1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL649823 0.85 C5AR1 (0.55) C5AR1ALDH1A1NPSR1HTR2AHTR2C
SCHEMBL648225 0.85 C5AR1 (0.59) C5AR1ALDH1A1NPSR1HTR2AHTR2C

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