SCHEMBL650503

SCHEMBL650503

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
P2RX7 Q99572 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
GNRHR P30968 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL650779 0.91 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1912861 0.91 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1913041 0.90 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649836 0.90 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL4766713 0.90 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL4767016 0.89 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649889 0.89 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651004 0.89 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL652766 0.89 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648036 0.88 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1

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