SCHEMBL648645

SCHEMBL648645

CCc1cccc(CC)c1-c1nc(Br)c(CN(Cc2ccc(OC)cc2)CC(C)(C)C)n1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TSPO P30536 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
MLNR O43193 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL651107 0.81 TSHR (0.38) PPARGPPARATSPOTSHRLMNA
SCHEMBL652707 0.72 USP2 (0.39) DCTPP1MEN1MAPTKMT2AHPGD
SCHEMBL649555 0.71 SMN1; SMN2 (0.35) PPARGPPARATSHRLMNATP53
SCHEMBL1913119 0.71 PTGDR2 (0.34) TSHRLMNATP53MEN1KMT2A
SCHEMBL1918604 0.70 USP2 (0.38) TSHRLMNAMEN1MAPTKMT2A
SCHEMBL1913115 0.68 USP2 (0.38) LMNADCTPP1MEN1MAPTKMT2A
SCHEMBL648275 0.67 TLR7 (0.34) TSHR
SCHEMBL5635308 0.66 PTGDR2 (0.41) PPARGPPARALMNATP53MEN1
SCHEMBL1913114 0.66 CYP2C9 (0.43) TSPOTSHRLMNATP53PDE4D
SCHEMBL22340486 0.64 HRH3 (0.49) TSHRDRD3HRH3

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 7 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-8119667-B2 Carbonates of fenicol antibiotics SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 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