SCHEMBL650433

SCHEMBL650433

CCCN(CCC)Cc1c(Cl)nc(-c2c(CC)cccc2CC)n1CCOC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.36
RIPK2 O43353 1/20 0.35
ACVR1 Q04771 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
CASR P41180 3/20 0.32
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL5929010 0.85 ALDH1A1 (0.35) ALDH1A1HPGDMAPK1CASRUSP2
SCHEMBL1912823 0.82 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1CASRUSP2
SCHEMBL652707 0.82 USP2 (0.39) CRHR1ALDH1A1HPGDUSP2
SCHEMBL650302 0.80 CCR4 (0.32) CRHR1
SCHEMBL651107 0.80 TSHR (0.38) RIPK2ACVR1NOD2ALDH1A1HPGD
SCHEMBL1913118 0.78 MAPK1 (0.37) RIPK2ACVR1NOD2ALDH1A1HPGD
SCHEMBL1913115 0.78 USP2 (0.38) CRHR1ALDH1A1HPGDMAPK1CASR
SCHEMBL648638 0.77 KMT2A (0.32) CRHR1
SCHEMBL648275 0.77 TLR7 (0.34) RIPK2ACVR1NOD2ALDH1A1USP2
SCHEMBL1912824 0.77 PTGER4 (0.35) ALDH1A1HPGDMAPK1CASRUSP2

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