SCHEMBL650149

SCHEMBL650149

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(CC(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
TLR7 Q9NYK1 5/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL651030 0.95 C5AR1 (0.47) C5AR1TLR7PTGDR2AGTR1AGTR2
SCHEMBL650147 0.92 C5AR1 (0.51) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL652376 0.89 C5AR1 (0.58) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL650990 0.89 C5AR1 (0.47) C5AR1TLR7PTGDR2AGTR1AGTR2
SCHEMBL648636 0.89 C5AR1 (0.51) C5AR1PTGDR2AGTR1AGTR2TSHR
SCHEMBL650146 0.88 C5AR1 (0.51) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL1913084 0.88 C5AR1 (0.51) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL648866 0.88 C5AR1 (0.46) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL649426 0.88 C5AR1 (0.46) C5AR1PTGDR2PPARGPPARATSHR
SCHEMBL649762 0.88 C5AR1 (0.47) C5AR1TLR7PTGDR2CYP2C8CYP2C9

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-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