SCHEMBL650362

SCHEMBL650362

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.37
CRHR1 P34998 3/20 0.37
CETP P11597 5/20 0.37
C5AR1 P21730 1/20 0.36
NR1H2 P55055 1/20 0.35
AGTR1 P30556 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 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
SCHEMBL652145 0.94 TLR7 (0.38) TLR7CRHR1CETPC5AR1NR1H2
SCHEMBL652150 0.94 CRHR1 (0.38) CRHR1CETPC5AR1
SCHEMBL651143 0.92 CRHR1 (0.37) TLR7CRHR1CETPC5AR1
SCHEMBL651113 0.91 CRHR1 (0.42) CRHR1CETPC5AR1
SCHEMBL648054 0.91 NR1H2 (0.39) TLR7CRHR1NR1H2AGTR1
SCHEMBL1913086 0.89 AGTR1 (0.41) TLR7CRHR1C5AR1AGTR1KDM4E
SCHEMBL650193 0.88 CRHR1 (0.40) CRHR1CETPC5AR1
SCHEMBL651310 0.88 NR1H4 (0.39) CRHR1AGTR1ALDH1A1
SCHEMBL651001 0.88 CRHR1 (0.38) CRHR1C5AR1
SCHEMBL651662 0.86 CRHR1 (0.37) CRHR1CETPC5AR1PTGS1

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