SCHEMBL648020

SCHEMBL648020

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc2c(c1)OCCO2)Cc1cc(OC)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
GNRHR P30968 4/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
F2R P25116 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CTSL P07711 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
SCHEMBL649019 0.90 C5AR1 (0.49) C5AR1HTR1ASLC6A4LMNASMN1; SMN2
SCHEMBL648111 0.90 C5AR1 (0.51) C5AR1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL652376 0.88 C5AR1 (0.58) C5AR1LMNASMN1; SMN2L3MBTL1PPARG
SCHEMBL647791 0.88 C5AR1 (0.49) C5AR1LMNASMN1; SMN2L3MBTL1PPARG
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1LMNASMN1; SMN2L3MBTL1PPARG
SCHEMBL650806 0.87 C5AR1 (0.57) C5AR1GAALMNASMN1; SMN2L3MBTL1
SCHEMBL650196 0.86 C5AR1 (0.51) C5AR1GNRHRLMNASMN1; SMN2L3MBTL1
SCHEMBL651208 0.86 C5AR1 (0.49) C5AR1GAAMAPTLMNASMN1; SMN2
SCHEMBL650146 0.85 C5AR1 (0.51) C5AR1GAALMNASMN1; SMN2L3MBTL1
SCHEMBL649928 0.85 C5AR1 (0.52) C5AR1LMNASMN1; SMN2L3MBTL1HTR2A

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