SCHEMBL651182

SCHEMBL651182

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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

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
SCHEMBL648344 0.95 C5AR1 (0.63) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL650039 0.95 C5AR1 (0.49) C5AR1PPARGPPARAMEN1KMT2A
SCHEMBL649030 0.93 C5AR1 (0.60) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL649243 0.93 C5AR1 (0.60) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL649256 0.92 C5AR1 (0.59) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL650054 0.92 C5AR1 (0.49) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL27620790 0.92 C5AR1 (0.59) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL651150 0.91 C5AR1 (0.61) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL1913063 0.91 C5AR1 (0.61) C5AR1PPARGPPARATSHRKDM4E
SCHEMBL650956 0.91 C5AR1 (0.58) C5AR1PPARGPPARAKDM4EMAPT

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 8 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
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