SCHEMBL649925

SCHEMBL649925

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1Cl)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.44
C5AR1 P21730 1/20 0.37
NR1H2 P55055 5/20 0.35
NR1H3 Q13133 5/20 0.35
LTC4S Q16873 1/20 0.35
CRHR1 P34998 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
P2RX7 Q99572 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL5137300 0.93 CCR4 (0.49) CCR4C5AR1CRHR1SLC6A2SLC6A4
SCHEMBL651739 0.91 CCR4 (0.45) CCR4C5AR1LTC4SCRHR1HDAC1
SCHEMBL5135866 0.90 C5AR1 (0.39) CCR4C5AR1CRHR1SLC6A2SLC6A4
SCHEMBL5135152 0.88 C5AR1 (0.41) CCR4C5AR1CRHR1HDAC1
SCHEMBL649736 0.87 NR1H2 (0.42) C5AR1NR1H2NR1H3CRHR1
SCHEMBL648934 0.86 CCR4 (0.40) CCR4C5AR1CRHR1HDAC1
SCHEMBL652182 0.86 C5AR1 (0.41) C5AR1NR1H2NR1H3CRHR1P2RX7
SCHEMBL5136106 0.86 C5AR1 (0.41) CCR4C5AR1CRHR1P2RX7HDAC1
SCHEMBL5136466 0.86 C5AR1 (0.42) CCR4C5AR1CRHR1HDAC1
SCHEMBL651073 0.86 CCR4 (0.42) CCR4C5AR1CRHR1HDAC1

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