SCHEMBL648123

SCHEMBL648123

CCCCN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CRHR1 P34998 3/20 0.42
CETP P11597 13/20 0.38
BCHE P06276 2/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL650074 0.95 C5AR1 (0.43) C5AR1CRHR1CETP
SCHEMBL5135861 0.92 CRHR1 (0.44) C5AR1CRHR1CETPBCHEPPARG
SCHEMBL648926 0.92 C5AR1 (0.41) C5AR1CETP
SCHEMBL647667 0.92 CRHR1 (0.39) C5AR1CRHR1CETPBCHEPPARG
SCHEMBL651691 0.91 C5AR1 (0.42) C5AR1CRHR1BCHEPPARGPPARA
SCHEMBL651407 0.90 C5AR1 (0.42) C5AR1CRHR1CETP
SCHEMBL652216 0.90 C5AR1 (0.42) C5AR1CRHR1CETPPPARGPPARA
SCHEMBL648225 0.88 C5AR1 (0.59) C5AR1CETPPPARGPPARA
SCHEMBL650496 0.88 C5AR1 (0.40) C5AR1CRHR1CETP
SCHEMBL651113 0.87 CRHR1 (0.42) C5AR1CRHR1CETP

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 5 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-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