SCHEMBL651244

SCHEMBL651244

CCCCn1c(-c2ccccc2C)nc(F)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2R P25116 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CTSL P07711 1/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL652511 0.95 C5AR1 (0.39) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL649528 0.91 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913080 0.89 C5AR1 (0.43) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL648590 0.87 C5AR1 (0.40) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL1913068 0.86 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651441 0.86 C5AR1 (0.40) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL648144 0.85 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650376 0.84 C5AR1 (0.38) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL647754 0.84 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL649715 0.83 MEN1 (0.33) SMN1; SMN2ALDH1A1HTTKDM4EMEN1

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