SCHEMBL648698

SCHEMBL648698

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(ccn2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
CRHR1 P34998 1/20 0.36
UBE2M P61081 3/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD11B1 P28845 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
GBA1 P04062 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
SCHEMBL648841 0.92 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648587 0.91 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1CLK4
SCHEMBL650118 0.91 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912842 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649792 0.88 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650037 0.87 CRHR1 (0.47) C5AR1CRHR1HSD11B1
SCHEMBL1912838 0.87 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL652681 0.86 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648301 0.86 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913056 0.85 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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