SCHEMBL650037

SCHEMBL650037

CCCCN(Cc1ccc2c(ccn2C)c1)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.47
HSD11B1 P28845 1/20 0.40
C5AR1 P21730 1/20 0.40
BCHE P06276 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL649536 0.87 CRHR1 (0.41) CRHR1HSD11B1C5AR1
SCHEMBL648698 0.87 C5AR1 (0.56) CRHR1HSD11B1C5AR1
SCHEMBL14572836 0.85 CRHR1 (0.49) CRHR1C5AR1BCHETSHR
SCHEMBL14607057 0.84 CRHR1 (0.49) CRHR1C5AR1BCHETSHR
SCHEMBL648994 0.84 CRHR1 (0.44) CRHR1C5AR1BCHETSHR
SCHEMBL5135611 0.84 CRHR1 (0.49) CRHR1C5AR1TSHR
SCHEMBL649846 0.83 C5AR1 (0.47) CRHR1HSD11B1C5AR1BCHETSHR
SCHEMBL649792 0.82 C5AR1 (0.62) CRHR1C5AR1TSHR
SCHEMBL1913039 0.81 CRHR1 (0.47) CRHR1C5AR1TSHR
SCHEMBL650398 0.81 CRHR1 (0.48) CRHR1C5AR1TSHR

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