SCHEMBL652770

SCHEMBL652770

CCCCCC(Cc1c(-c2ccc(C)cc2)nc(-c2ccccc2C)n1CCCC)NCc1ccc(C(=O)OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
AGTR1 P30556 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HTT P42858 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
SCHEMBL648189 0.98 DRD2 (0.34) TLR8DRD2TBXA2RAGTR1TRIM24
SCHEMBL652331 0.94 DRD2 (0.35) TLR8DRD2TBXA2RAGTR1TRIM24
SCHEMBL652578 0.92 AGTR1 (0.34) TLR8DRD2TBXA2RAGTR1
SCHEMBL650291 0.91 DRD2 (0.33) TLR8DRD2TBXA2RAGTR1TRIM24
SCHEMBL651121 0.88 MEN1 (0.34) TLR8DRD2TBXA2RAGTR1
SCHEMBL648905 0.87 RARA (0.35) F2F7F3AGTR1
SCHEMBL648999 0.86 ADORA3 (0.37) AGTR1ALDH1A1
SCHEMBL653481 0.85 MERTK (0.34) DRD2TBXA2RAGTR1ALDH1A1
SCHEMBL650059 0.84 AGTR1 (0.37) AGTR1
SCHEMBL650087 0.83 ADORA3 (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