SCHEMBL649536

SCHEMBL649536

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(ccn2C)c1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.41
C5AR1 P21730 1/20 0.38
HSD11B1 P28845 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL650037 0.87 CRHR1 (0.47) CRHR1C5AR1HSD11B1
SCHEMBL651125 0.86 CRHR1 (0.39) CRHR1C5AR1
SCHEMBL651627 0.84 PTGES (0.42) CRHR1C5AR1
SCHEMBL648698 0.83 C5AR1 (0.56) CRHR1C5AR1HSD11B1
SCHEMBL651032 0.82 CRHR1 (0.38) CRHR1C5AR1
SCHEMBL650520 0.82 CRHR1 (0.38) CRHR1C5AR1
SCHEMBL648380 0.81 CRHR1 (0.37) CRHR1C5AR1SLC6A4
SCHEMBL650668 0.81 AGTR1 (0.38) CRHR1C5AR1
SCHEMBL5134723 0.79 C5AR1 (0.42) CRHR1C5AR1
SCHEMBL651006 0.79 C5AR1 (0.42) CRHR1C5AR1

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