SCHEMBL650854

SCHEMBL650854

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
HDAC1 Q13547 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
MC4R P32245 1/20 0.35
ATM Q13315 1/20 0.34
CASR P41180 1/20 0.34
FAAH O00519 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
SCHEMBL1913014 0.93 C5AR1 (0.42) C5AR1HDAC1MEN1KMT2ALMNA
SCHEMBL651825 0.92 C5AR1 (0.39) C5AR1HDAC1MEN1KMT2ALMNA
SCHEMBL648900 0.85 C5AR1 (0.42) C5AR1HDAC1MEN1KMT2ALMNA
SCHEMBL650811 0.84 C5AR1 (0.58) C5AR1MEN1KMT2ALMNATDP1
SCHEMBL651438 0.84 C5AR1 (0.40) C5AR1HDAC1MEN1KMT2ALMNA
SCHEMBL652234 0.84 AGTR1 (0.46) C5AR1MEN1KMT2ALMNAPOLB
SCHEMBL1913027 0.84 CRHR1 (0.41) C5AR1MEN1KMT2ALMNAPOLB
SCHEMBL1913052 0.84 C5AR1 (0.37) C5AR1HDAC1MEN1KMT2ALMNA
SCHEMBL650787 0.84 C5AR1 (0.41) C5AR1HDAC1KMT2APOLBTDP1
SCHEMBL649871 0.83 C5AR1 (0.42) C5AR1HDAC1TLR7FAAH

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