SCHEMBL649702

SCHEMBL649702

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)(C)O)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
F2R P25116 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.32
CRHR1 P34998 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NSD2 O96028 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL650047 0.91 C5AR1 (0.44) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL648683 0.89 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL1913104 0.88 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL1913110 0.85 C5AR1 (0.39) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL650495 0.85 C5AR1 (0.52) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL1913100 0.84 C5AR1 (0.42) C5AR1LMNAPTGDR2TSHRMEN1
SCHEMBL650133 0.83 MEN1 (0.35) MEN1KMT2ACRHR1
SCHEMBL652538 0.82 C5AR1 (0.39) C5AR1LMNASMN1; SMN2L3MBTL1TSHR
SCHEMBL648590 0.82 C5AR1 (0.40) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL652326 0.82 C5AR1 (0.40) C5AR1F2RLMNASMN1; SMN2L3MBTL1

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