SCHEMBL652236

SCHEMBL652236

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
LMNA P02545 1/20 0.39
BCHE P06276 3/20 0.38
TSHR P16473 2/20 0.38
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
CRHR1 P34998 3/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL650283 0.96 C5AR1 (0.42) C5AR1LMNABCHETSHRATP4A
SCHEMBL650201 0.95 C5AR1 (0.41) C5AR1LMNABCHETSHRATP4A
SCHEMBL651033 0.95 C5AR1 (0.44) C5AR1LMNATSHRATP4AATP4B
SCHEMBL649935 0.95 C5AR1 (0.41) C5AR1LMNABCHETSHRATP4A
SCHEMBL652364 0.95 C5AR1 (0.41) C5AR1LMNABCHETSHRATP4A
SCHEMBL648163 0.95 C5AR1 (0.41) C5AR1LMNABCHETSHRATP4A
SCHEMBL651956 0.94 C5AR1 (0.43) C5AR1LMNABCHETSHRATP4A
SCHEMBL652505 0.94 C5AR1 (0.42) C5AR1LMNATSHRATP4AATP4B
SCHEMBL650810 0.93 C5AR1 (0.40) C5AR1LMNATSHRATP4AATP4B
SCHEMBL5136974 0.92 ATP4A (0.39) C5AR1BCHETSHRATP4AATP4B

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