SCHEMBL647900

SCHEMBL647900

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
GNRHR P30968 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 2/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL649626 0.94 C5AR1 (0.41) C5AR1GNRHRALDH1A1KDM4ELMNA
SCHEMBL4766354 0.94 C5AR1 (0.41) C5AR1ALDH1A1KDM4ELMNAHTT
SCHEMBL5136067 0.92 KDM4E (0.41) C5AR1BCL2L1BAK1MEN1KMT2A
SCHEMBL5136898 0.88 C5AR1 (0.43) C5AR1GNRHRALDH1A1KDM4ELMNA
SCHEMBL651365 0.88 C5AR1 (0.46) C5AR1ALDH1A1KDM4ELMNAHTT
SCHEMBL5136940 0.87 C5AR1 (0.43) C5AR1GNRHRALDH1A1KDM4ELMNA
SCHEMBL5136545 0.87 C5AR1 (0.43) C5AR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5137368 0.87 TP53 (0.46) C5AR1ALDH1A1KDM4ELMNAHTT
SCHEMBL5072205 0.87 C5AR1 (0.46) C5AR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5134631 0.87 DCTPP1 (0.40) C5AR1MEN1KMT2AALDH1A1KDM4E

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