SCHEMBL650054

SCHEMBL650054

CCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL1913026 0.95 C5AR1 (0.56) C5AR1PPARGPPARATSHRSMN1; SMN2
SCHEMBL649494 0.95 C5AR1 (0.44) C5AR1PPARGPPARAGAA
SCHEMBL651182 0.92 C5AR1 (0.56) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL651679 0.91 C5AR1 (0.58) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL648633 0.90 C5AR1 (0.50) C5AR1PPARGPPARASMN1; SMN2GAA
SCHEMBL650806 0.88 C5AR1 (0.57) C5AR1PPARGPPARATSHRSMN1; SMN2
SCHEMBL649431 0.88 C5AR1 (0.44) C5AR1PPARGPPARASMN1; SMN2POLB
SCHEMBL648344 0.87 C5AR1 (0.63) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL1913058 0.87 C5AR1 (0.56) C5AR1PPARGPPARATSHRSMN1; SMN2
SCHEMBL650039 0.87 C5AR1 (0.49) C5AR1PPARGPPARAGAA

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