SCHEMBL647986

SCHEMBL647986

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
TSHR P16473 4/20 0.39
KDM4E B2RXH2 5/20 0.36
P2RX7 Q99572 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 2/20 0.34
NR1H3 Q13133 1/20 0.34
CRHR1 P34998 2/20 0.34
CYP3A4 P08684 2/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL10288475 0.94 C5AR1 (0.42) C5AR1TSHRKDM4EP2RX7ALDH1A1
SCHEMBL5136299 0.93 C5AR1 (0.45) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5136551 0.92 C5AR1 (0.41) C5AR1TSHRKDM4EALDH1A1GAA
SCHEMBL651067 0.91 C5AR1 (0.42) C5AR1TSHRMEN1KMT2ACRHR1
SCHEMBL652221 0.91 C5AR1 (0.42) C5AR1TSHRKDM4EP2RX7ALDH1A1
SCHEMBL648849 0.90 C5AR1 (0.40) C5AR1TSHRKDM4EP2RX7ALDH1A1
SCHEMBL650635 0.90 C5AR1 (0.41) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5135975 0.89 KDM4E (0.48) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5136240 0.89 C5AR1 (0.39) C5AR1TSHRKDM4EP2RX7ALDH1A1
SCHEMBL651094 0.88 TSHR (0.50) C5AR1TSHRKDM4EALDH1A1HPGD

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