SCHEMBL647832

SCHEMBL647832

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(C(=O)O)c(OC)c1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 1/20 0.41
C5AR1 P21730 1/20 0.41
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
PTGER4 P35408 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 1/20 0.36
BCHE P06276 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL651438 0.94 C5AR1 (0.40) AGTR1AGTR2C5AR1PPARGPTGER4
SCHEMBL648140 0.91 C5AR1 (0.44) C5AR1MEN1KMT2AHTR2CLMNA
SCHEMBL5135268 0.89 C5AR1 (0.42) AGTR1AGTR2C5AR1PPARGLTB4R2
SCHEMBL652234 0.88 AGTR1 (0.46) AGTR1AGTR2C5AR1PPARGPPARA
SCHEMBL5135694 0.87 C5AR1 (0.44) C5AR1HDAC1HTR2CPOLBTDP1
SCHEMBL5137096 0.87 C5AR1 (0.42) C5AR1MEN1KMT2AHDAC1HTR2C
SCHEMBL5136024 0.87 C5AR1 (0.41) C5AR1MEN1KMT2ABCHELMNA
SCHEMBL5136497 0.87 C5AR1 (0.41) C5AR1MEN1KMT2AMAPT
SCHEMBL1913025 0.86 C5AR1 (0.41) AGTR1C5AR1PPARGLTB4R2HDAC1
SCHEMBL5137681 0.86 PTGES (0.44) C5AR1LTB4R2HDAC1LMNATDP1

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