SCHEMBL651208

SCHEMBL651208

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCCO2)Cc1cc(OC(C)=O)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 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
SCHEMBL650146 0.94 C5AR1 (0.51) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL648948 0.93 C5AR1 (0.50) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL650148 0.90 C5AR1 (0.48) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL651031 0.88 C5AR1 (0.48) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL652376 0.87 C5AR1 (0.58) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL649602 0.86 C5AR1 (0.51) C5AR1PPARGPPARAPTGDR2CYP2C8
SCHEMBL1913084 0.86 C5AR1 (0.51) C5AR1PPARGPPARATSHRALDH1A1
SCHEMBL648020 0.86 C5AR1 (0.49) C5AR1PPARGPPARAPTGDR2LMNA
SCHEMBL650147 0.85 C5AR1 (0.51) C5AR1PPARGPPARATSHRALDH1A1

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 1 patent. 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