SCHEMBL652505

SCHEMBL652505

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 5/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP3A4 P08684 3/20 0.36
HTT P42858 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
BACE1 P56817 1/20 0.34
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL651033 0.96 C5AR1 (0.44) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL651956 0.95 C5AR1 (0.43) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL650283 0.94 C5AR1 (0.42) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL652236 0.94 C5AR1 (0.42) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL650201 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL5135971 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL650580 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL652364 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL648163 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL1913032 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA

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