SCHEMBL650511

SCHEMBL650511

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)c(F)c2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
C5AR1 P21730 1/20 0.39
BCHE P06276 5/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 1/20 0.33
IGF1R P08069 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL650750 0.93 MAPT (0.36) MAPTC5AR1BCHEMEN1CYP1A2
SCHEMBL649417 0.92 C5AR1 (0.43) MAPTC5AR1BCHEMEN1KMT2A
SCHEMBL651161 0.91 MAPT (0.40) MAPTC5AR1BCHEMEN1CYP1A2
SCHEMBL648177 0.91 C5AR1 (0.42) MAPTC5AR1BCHETSHRPPARG
SCHEMBL651369 0.91 C5AR1 (0.54) MAPTC5AR1SMN1; SMN2PPARGPPARA
SCHEMBL650569 0.90 C5AR1 (0.44) MAPTC5AR1BCHESMN1; SMN2TSHR
SCHEMBL649258 0.90 C5AR1 (0.45) MAPTC5AR1BCHETSHRPPARG
SCHEMBL651401 0.90 C5AR1 (0.42) MAPTC5AR1BCHEKMT2APPARG
SCHEMBL651877 0.90 CACNA2D1 (0.42) MAPTC5AR1BCHEMEN1CYP1A2
SCHEMBL650505 0.90 C5AR1 (0.43) MAPTC5AR1BCHESMN1; SMN2TSHR

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
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
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