SCHEMBL649931

SCHEMBL649931

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEP1B Q16820 1/20 0.38
ACHE P22303 2/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H3 Q13133 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5170483 0.96 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2MEP1B
SCHEMBL1912916 0.94 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2MEP1B
SCHEMBL651343 0.92 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2ACHE
SCHEMBL649059 0.91 C5AR1 (0.42) C5AR1ALDH1A1KMT2A
SCHEMBL651011 0.91 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2ACHE
SCHEMBL651074 0.90 C5AR1 (0.43) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL650117 0.90 C5AR1 (0.42) C5AR1TP53GAASMN1; SMN2MEP1B
SCHEMBL5134962 0.90 C5AR1 (0.48) C5AR1TSHRNR1H3ALDH1A1KDM4E
SCHEMBL5135336 0.89 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2ACHE
SCHEMBL648442 0.89 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2ACHE

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