SCHEMBL650123

SCHEMBL650123

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
DAGLA Q9Y4D2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL651033 0.92 C5AR1 (0.44) C5AR1ALDH1A1KDM4EHTTDAGLA
SCHEMBL651956 0.91 C5AR1 (0.43) C5AR1ALDH1A1KDM4EHTTDAGLA
SCHEMBL1913047 0.91 ALDH1A1 (0.36) C5AR1ALDH1A1KDM4EHTTPPARG
SCHEMBL649496 0.90 C5AR1 (0.44) C5AR1ALDH1A1KDM4ETSHRLMNA
SCHEMBL649926 0.90 MAPT (0.42) C5AR1ALDH1A1KDM4EHTTDAGLA
SCHEMBL650580 0.89 C5AR1 (0.41) C5AR1ALDH1A1KDM4EHTTDAGLA
SCHEMBL5135971 0.89 C5AR1 (0.41) C5AR1ALDH1A1KDM4EHTTTSHR
SCHEMBL652505 0.89 C5AR1 (0.42) C5AR1ALDH1A1KDM4EHTTDAGLA
SCHEMBL648790 0.88 C5AR1 (0.43) C5AR1ALDH1A1HTTPPARGPPARA
SCHEMBL1913032 0.88 C5AR1 (0.41) C5AR1ALDH1A1KDM4EHTTTSHR

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