SCHEMBL648041

SCHEMBL648041

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OCC)c1)C(C)(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
TLR7 Q9NYK1 4/20 0.32
METAP2 P50579 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL648633 0.87 C5AR1 (0.50) C5AR1ALDH1A1MAPTMAPK1OPRM1
SCHEMBL14572906 0.87 C5AR1 (0.35) C5AR1ALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL651171 0.83 C5AR1 (0.42) C5AR1ALDH1A1MAPTMAPK1OPRM1
SCHEMBL1913026 0.83 C5AR1 (0.56) C5AR1POLBSMN1; SMN2SIRT2
SCHEMBL649494 0.83 C5AR1 (0.44) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL648110 0.82 C5AR1 (0.49) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL650633 0.81 C5AR1 (0.61) C5AR1ALDH1A1MAPTMAPK1OPRM1
SCHEMBL1913083 0.81 C5AR1 (0.43) C5AR1ALDH1A1MAPTMAPK1OPRM1
SCHEMBL648111 0.81 C5AR1 (0.51) C5AR1ALDH1A1MAPTMAPK1OPRM1
SCHEMBL650859 0.81 C5AR1 (0.51) C5AR1ALDH1A1MAPTMAPK1OPRM1

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 7 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
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