SCHEMBL650168

SCHEMBL650168

CCCCn1c(-c2ccccc2)nc(-c2cccc(OC)c2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
F2R P25116 2/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GNRHR P30968 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL649697 0.95 C5AR1 (0.57) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL1913057 0.93 C5AR1 (0.55) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL5136605 0.93 C5AR1 (0.60) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL652021 0.93 C5AR1 (0.54) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL651150 0.93 C5AR1 (0.61) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL5136938 0.93 C5AR1 (0.66) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL649979 0.92 C5AR1 (0.65) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL649608 0.91 C5AR1 (0.53) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL649243 0.91 C5AR1 (0.60) C5AR1F2RHTR2AHTR2CHTR2B
SCHEMBL4768447 0.91 C5AR1 (0.64) C5AR1F2RHTR2AHTR2CHTR2B

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