SCHEMBL653481

SCHEMBL653481

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CC(NCc1ccc(C(=O)OC)cc1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.34
PDE7A Q13946 2/20 0.33
PDE4D Q08499 1/20 0.33
PDE4B Q07343 1/20 0.33
SSTR3 P32745 1/20 0.33
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
AGTR1 P30556 1/20 0.32
MCHR1 Q99705 1/20 0.32
EPHX1 P07099 1/20 0.32
BACE1 P56817 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
DRD2 P14416 1/20 0.32
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL651079 0.93 AGTR1 (0.34) AGTR1ADORA3ADORA2BALDH1A1LMNA
SCHEMBL652064 0.90 ITGB1 (0.31) EGFRBTKADORA3ADORA2B
SCHEMBL652331 0.86 DRD2 (0.35) AGTR1ADORA2BDRD2TBXA2R
SCHEMBL648189 0.85 DRD2 (0.34) AGTR1ADORA2BDRD2TBXA2R
SCHEMBL651121 0.85 MEN1 (0.34) AGTR1ADORA2BDRD2TBXA2R
SCHEMBL652770 0.85 TLR8 (0.35) AGTR1DRD2TBXA2RALDH1A1
SCHEMBL652578 0.84 AGTR1 (0.34) AGTR1DRD2TBXA2R
SCHEMBL650291 0.83 DRD2 (0.33) AGTR1ADORA2BDRD2TBXA2R
SCHEMBL651080 0.81 MEN1 (0.38) MERTKPDE7APDE4DAGTR1ALDH1A1
SCHEMBL648905 0.80 RARA (0.35) AGTR1

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 1 patent. 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