SCHEMBL652723

SCHEMBL652723

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.39
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
CRHR1 P34998 3/20 0.35
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PDPK1 O15530 2/20 0.34
C5AR1 P21730 1/20 0.34
MMP13 P45452 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
SCHEMBL649785 0.92 CRHR1 (0.40) DAGLACRHR1C5AR1MMP13
SCHEMBL1912981 0.91 DAGLA (0.40) DAGLAPTGS2PTGS1CA12CA1
SCHEMBL648460 0.91 CRHR1 (0.41) CRHR1C5AR1MMP13
SCHEMBL651116 0.91 CRHR1 (0.41) PTGS2PTGS1CRHR1CA12CA1
SCHEMBL652031 0.90 CRHR1 (0.34) PTGS2PTGS1CRHR1CA12CA1
SCHEMBL652438 0.89 CRHR1 (0.40) CRHR1C5AR1
SCHEMBL651662 0.88 CRHR1 (0.37) PTGS2PTGS1CRHR1CA12CA1
SCHEMBL5134742 0.88 CRHR1 (0.37) DAGLACRHR1C5AR1MMP13
SCHEMBL649800 0.88 CRHR1 (0.46) CRHR1C5AR1
SCHEMBL651162 0.88 CRHR1 (0.46) PTGS2PTGS1CRHR1CA12CA1

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