SCHEMBL648222

SCHEMBL648222

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
MEP1B Q16820 1/20 0.39
TSHR P16473 3/20 0.37
BCHE P06276 4/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CALM1 P0DP23 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
PDE4B Q07343 1/20 0.34
CRHR1 P34998 2/20 0.34
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL648790 0.97 C5AR1 (0.43) C5AR1MEP1BTSHRBCHEHSD17B10
SCHEMBL649156 0.95 C5AR1 (0.42) C5AR1MEP1BTSHRALDH1A1HTT
SCHEMBL651691 0.95 C5AR1 (0.42) C5AR1MEP1BTSHRBCHEHSD17B10
SCHEMBL651884 0.93 C5AR1 (0.41) C5AR1MEP1BTSHRBCHEHSD17B10
SCHEMBL653237 0.93 C5AR1 (0.40) C5AR1MEP1BHTTPPARGPPARA
SCHEMBL650072 0.93 C5AR1 (0.41) C5AR1MEP1BTSHRBCHEALDH1A1
SCHEMBL651956 0.92 C5AR1 (0.43) C5AR1TSHRBCHEHSD17B10ALDH1A1
SCHEMBL651212 0.91 C5AR1 (0.39) C5AR1MEP1B
SCHEMBL651407 0.91 C5AR1 (0.42) C5AR1CRHR1
SCHEMBL649888 0.91 C5AR1 (0.40) C5AR1BCHEALDH1A1HTTPPARG

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