SCHEMBL652069

SCHEMBL652069

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CRHR1 P34998 9/20 0.36
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CETP P11597 1/20 0.31
TSHR P16473 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
BACE1 P56817 1/20 0.30
MMP13 P45452 1/20 0.30
DRD4 P21917 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL651417 0.92 C5AR1 (0.47) C5AR1ALDH1A1HTTTSHRUBE2M
SCHEMBL649785 0.90 CRHR1 (0.40) C5AR1CRHR1ALDH1A1HTTTSHR
SCHEMBL648524 0.90 C5AR1 (0.55) C5AR1CRHR1ALDH1A1TSHRUBE2M
SCHEMBL648460 0.89 CRHR1 (0.41) C5AR1CRHR1ALDH1A1HTTTSHR
SCHEMBL652438 0.86 CRHR1 (0.40) C5AR1CRHR1ALDH1A1TSHR
SCHEMBL5134742 0.86 CRHR1 (0.37) C5AR1CRHR1ALDH1A1HTTTSHR
SCHEMBL649800 0.86 CRHR1 (0.46) C5AR1CRHR1TSHRPPARGPPARA
SCHEMBL651357 0.85 C5AR1 (0.37) C5AR1CRHR1ALDH1A1HTTTSHR
SCHEMBL649711 0.85 CRHR1 (0.39) C5AR1CRHR1ALDH1A1HTTTSHR
SCHEMBL647850 0.85 C5AR1 (0.42) C5AR1CRHR1HTTTSHR

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 8 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
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