SCHEMBL1912977

SCHEMBL1912977

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CSF1R P07333 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 1/20 0.35
PDE4B Q07343 3/20 0.35
CASR P41180 1/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCC1 P33527 1/20 0.34
TSHR P16473 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
SCHEMBL648305 0.94 C5AR1 (0.41) C5AR1SMN1; SMN2TP53GAACSF1R
SCHEMBL5135971 0.92 C5AR1 (0.41) C5AR1SMN1; SMN2TP53GAALMNA
SCHEMBL5135242 0.92 C5AR1 (0.45) C5AR1SMN1; SMN2TP53GAAMEN1
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1GAALMNAPDE4BHTT
SCHEMBL650402 0.91 C5AR1 (0.41) C5AR1SMN1; SMN2TP53GAACSF1R
SCHEMBL648409 0.91 C5AR1 (0.42) C5AR1CSF1RLMNACRHR1PDE4B
SCHEMBL1913032 0.91 C5AR1 (0.41) C5AR1SMN1; SMN2TP53GAALMNA
SCHEMBL651343 0.91 C5AR1 (0.47) C5AR1SMN1; SMN2TP53GAAMEN1
SCHEMBL651956 0.91 C5AR1 (0.43) C5AR1SMN1; SMN2GAALMNAHTT
SCHEMBL1913005 0.90 C5AR1 (0.42) C5AR1CSF1RLMNACRHR1HTT

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