SCHEMBL648057

SCHEMBL648057

CCCCN(Cc1ccc(C(=O)OC)c(N)c1)Cc1c(-c2cccc(OC)c2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TLR7 Q9NYK1 5/20 0.38
PPARG P37231 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
C5AR1 P21730 1/20 0.37
GNRHR P30968 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAD52 P43351 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
SCHEMBL649871 0.93 C5AR1 (0.42) TLR7PPARGHDAC1C5AR1PPARA
SCHEMBL1913014 0.85 C5AR1 (0.42) KMT2AMEN1TLR7PPARGHDAC1
SCHEMBL5135705 0.83 CALM1 (0.45) KMT2AMEN1TLR7C5AR1TSHR
SCHEMBL5135765 0.82 MEN1 (0.41) KMT2AMEN1TLR7PPARGHDAC3
SCHEMBL5135427 0.82 MEN1 (0.42) KMT2AMEN1TLR7PPARGHDAC3
SCHEMBL5137694 0.82 TLR7 (0.43) KMT2AMEN1TLR7PPARGC5AR1
SCHEMBL5136530 0.82 C5AR1 (0.41) KMT2AMEN1TLR7HDAC3HDAC4
SCHEMBL5135893 0.81 TLR7 (0.49) TLR7C5AR1
SCHEMBL5170566 0.81 CALM1 (0.43) KMT2AMEN1TLR7C5AR1TSHR
SCHEMBL653253 0.81 HSP90AA1 (0.41) KMT2AMEN1TLR7C5AR1

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