SCHEMBL651438

SCHEMBL651438

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
HDAC1 Q13547 1/20 0.36
BCHE P06276 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 1/20 0.35
HTR4 Q13639 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.34
AVPR1B P47901 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 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
SCHEMBL647832 0.94 AGTR1 (0.41) C5AR1FNTAFNTBHDAC1BCHE
SCHEMBL648140 0.89 C5AR1 (0.44) C5AR1LMNAMEN1KMT2ATDP1
SCHEMBL651909 0.88 ALDH1A1 (0.35) HDAC1LMNAMEN1KMT2AAVPR1B
SCHEMBL1913014 0.88 C5AR1 (0.42) C5AR1HDAC1AGTR1AGTR2LMNA
SCHEMBL5137352 0.87 TLR7 (0.42) C5AR1TLR7AVPR1B
SCHEMBL5137096 0.86 C5AR1 (0.42) C5AR1HDAC1MEN1KMT2AMAPT
SCHEMBL5135694 0.86 C5AR1 (0.44) C5AR1HDAC1TDP1POLB
SCHEMBL10289126 0.86 C5AR1 (0.36) C5AR1FNTAFNTBHDAC1BCHE
SCHEMBL5136024 0.85 C5AR1 (0.41) C5AR1BCHELMNAMEN1KMT2A
SCHEMBL5136497 0.85 C5AR1 (0.41) C5AR1MEN1KMT2AMAPT

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