SCHEMBL648419

SCHEMBL648419

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
TLR7 Q9NYK1 1/20 0.42
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CNR2 P34972 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BCHE P06276 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL5135433 0.97 C5AR1 (0.46) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL652044 0.95 C5AR1 (0.43) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL5072205 0.94 C5AR1 (0.46) C5AR1CNR2BCHEMAPTTSHR
SCHEMBL5137932 0.94 C5AR1 (0.44) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL651365 0.93 C5AR1 (0.46) C5AR1CNR2BCHEMAPTTSHR
SCHEMBL5170566 0.93 CALM1 (0.43) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL5135383 0.93 C5AR1 (0.45) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL649156 0.92 C5AR1 (0.42) C5AR1TLR7CALM1CAMKK2HSP90AA1
SCHEMBL5135486 0.92 C5AR1 (0.42) C5AR1TLR7CALM1CAMKK2
SCHEMBL649083 0.92 C5AR1 (0.42) C5AR1TLR7HSP90AA1HSP90AB1BCHE

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 5 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-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