SCHEMBL650806

SCHEMBL650806

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
F2R P25116 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSL P07711 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL648111 0.95 C5AR1 (0.51) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL1913026 0.93 C5AR1 (0.56) C5AR1HTR2AHTR2CHTR2BLMNA
SCHEMBL649661 0.92 C5AR1 (0.66) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL650168 0.89 C5AR1 (0.62) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL1912840 0.89 C5AR1 (0.63) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL649913 0.88 C5AR1 (0.64) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL648633 0.88 C5AR1 (0.50) C5AR1LMNASMN1; SMN2L3MBTL1TLR7
SCHEMBL650054 0.88 C5AR1 (0.49) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL649697 0.88 C5AR1 (0.57) C5AR1HTR2AHTR2CHTR2BF2R
SCHEMBL648948 0.88 C5AR1 (0.50) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1

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