SCHEMBL649331

SCHEMBL649331

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OC(C)C)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
METAP2 P50579 1/20 0.34
HTR2A P28223 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
SCHEMBL648948 0.92 C5AR1 (0.50) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648111 0.91 C5AR1 (0.51) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648633 0.91 C5AR1 (0.50) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648110 0.90 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL652376 0.89 C5AR1 (0.58) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL1913081 0.88 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651035 0.88 C5AR1 (0.54) C5AR1PTGDR2ALDH1A1CYP2C8CYP2C9
SCHEMBL648139 0.88 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL650806 0.87 C5AR1 (0.57) C5AR1ALDH1A1MAPK1SMN1; SMN2LMNA

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed