SCHEMBL649715

SCHEMBL649715

CCCCn1c(-c2ccccc2C)nc(F)c1CN(Cc1cccc(OCC)c1)Cc1ccc2[nH]ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD4 P21917 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BCHE P06276 5/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL647754 0.84 SMN1; SMN2 (0.41) BCHESMN1; SMN2
SCHEMBL652511 0.83 C5AR1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL651244 0.83 C5AR1 (0.44) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL648453 0.83 AGTR1 (0.38) SMN1; SMN2
SCHEMBL650187 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3DRD4SIGMAR1
SCHEMBL650098 0.78 MEN1 (0.36) MEN1KMT2ABCHEKDM4EALDH1A1
SCHEMBL651294 0.77 BCHE (0.40) MEN1KMT2ABCHE
SCHEMBL1913111 0.76 MEN1 (0.37) MEN1KMT2A
SCHEMBL1913109 0.75 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL648912 0.75 KMT2A (0.37) MEN1KMT2ABCHE

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