SCHEMBL647601

SCHEMBL647601

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.36
CRHR1 P34998 10/20 0.36
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
DAGLA Q9Y4D2 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL651357 0.92 C5AR1 (0.37) C5AR1CRHR1ALDH1A1HTTMMP13
SCHEMBL648292 0.91 CRHR1 (0.42) C5AR1CRHR1TSHR
SCHEMBL649785 0.91 CRHR1 (0.40) C5AR1CRHR1ALDH1A1HTTMMP13
SCHEMBL648460 0.90 CRHR1 (0.41) C5AR1CRHR1ALDH1A1HTTMMP13
SCHEMBL649943 0.90 C5AR1 (0.38) C5AR1CRHR1ALDH1A1HTTMMP13
SCHEMBL652438 0.88 CRHR1 (0.40) C5AR1CRHR1ALDH1A1TSHRLMNA
SCHEMBL648908 0.87 CRHR1 (0.40) C5AR1CRHR1MMP13TSHR
SCHEMBL5134742 0.87 CRHR1 (0.37) C5AR1CRHR1ALDH1A1HTTMMP13
SCHEMBL649800 0.87 CRHR1 (0.46) C5AR1CRHR1TSHRLMNAPPARG
SCHEMBL649711 0.87 CRHR1 (0.39) C5AR1CRHR1ALDH1A1HTTTSHR

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