SCHEMBL650039

SCHEMBL650039

CCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
METAP2 P50579 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL648859 0.95 C5AR1 (0.56) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL651182 0.95 C5AR1 (0.56) C5AR1MEN1KMT2APPARGPPARA
SCHEMBL649431 0.93 C5AR1 (0.44) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL649494 0.92 C5AR1 (0.44) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL1913078 0.91 C5AR1 (0.45) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL649430 0.91 C5AR1 (0.58) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL648344 0.90 C5AR1 (0.63) C5AR1MEN1KMT2APPARGPPARA
SCHEMBL648144 0.89 C5AR1 (0.49) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL649030 0.88 C5AR1 (0.60) C5AR1ALDH1A1MAPK1PPARGPPARA
SCHEMBL649243 0.88 C5AR1 (0.60) C5AR1MEN1KMT2APPARGPPARA

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