SCHEMBL649019

SCHEMBL649019

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(F)c(OC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2A P28223 10/20 0.37
HTR2B P41595 10/20 0.37
HTR2C P28335 9/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1D P25100 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
SCHEMBL652376 0.90 C5AR1 (0.58) C5AR1LMNASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL648020 0.90 C5AR1 (0.49) C5AR1HTR2AHTR2BHTR2CLMNA
SCHEMBL650196 0.88 C5AR1 (0.51) C5AR1LMNASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL1912840 0.88 C5AR1 (0.63) C5AR1LMNASMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL648111 0.87 C5AR1 (0.51) C5AR1HTR2AHTR2BHTR2CLMNA
SCHEMBL649928 0.87 C5AR1 (0.52) C5AR1HTR2AHTR2BHTR2CLMNA
SCHEMBL1913081 0.87 C5AR1 (0.54) C5AR1HTR2AHTR2BHTR2CLMNA
SCHEMBL648693 0.87 C5AR1 (0.55) C5AR1LMNASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL648614 0.87 C5AR1 (0.55) C5AR1LMNASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL649257 0.86 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1PTGDR2

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