SCHEMBL647667

SCHEMBL647667

CCCCN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1c(-c2ccc(C)s2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
C5AR1 P21730 1/20 0.37
CETP P11597 11/20 0.35
ACKR3 P25106 1/20 0.34
BCHE P06276 2/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL648123 0.92 C5AR1 (0.42) CRHR1C5AR1CETPBCHEPPARG
SCHEMBL652081 0.88 BCHE (0.39) CRHR1C5AR1ACKR3BCHEATP4A
SCHEMBL650074 0.87 C5AR1 (0.43) CRHR1C5AR1CETP
SCHEMBL5135861 0.84 CRHR1 (0.44) CRHR1C5AR1CETPBCHEATP4A
SCHEMBL648926 0.84 C5AR1 (0.41) C5AR1CETP
SCHEMBL651113 0.83 CRHR1 (0.42) CRHR1C5AR1CETP
SCHEMBL651691 0.82 C5AR1 (0.42) CRHR1C5AR1BCHEATP4AATP4B
SCHEMBL652216 0.82 C5AR1 (0.42) CRHR1C5AR1CETPPPARGPPARA
SCHEMBL651407 0.82 C5AR1 (0.42) CRHR1C5AR1CETP
SCHEMBL650496 0.80 C5AR1 (0.40) CRHR1C5AR1CETP

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 6 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
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