SCHEMBL647745

SCHEMBL647745

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(Cc1ccc(C(=O)OC)c(OC)c1)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL651422 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL652197 0.93 AGTR1 (0.35) AGTR1AGTR2HTR1AHTR2CHTR2B
SCHEMBL650483 0.84 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL650395 0.82 MEN1 (0.35) AGTR1AGTR2
SCHEMBL1913111 0.79 MEN1 (0.37)
SCHEMBL648683 0.79 C5AR1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL648229 0.78 TRPA1 (0.39)
SCHEMBL648563 0.77 MEN1 (0.36) AGTR1
SCHEMBL651300 0.77 AGTR1 (0.35) AGTR1
SCHEMBL648737 0.77 TSHR (0.37) AGTR1AGTR2ALDH1A1

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