SCHEMBL650291

SCHEMBL650291

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
AGTR1 P30556 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
IDO1 P14902 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
SCHEMBL650087 0.93 ADORA3 (0.35) AGTR1MEN1KMT2AADORA2B
SCHEMBL652331 0.93 DRD2 (0.35) DRD2TBXA2RAGTR1TLR8TRIM24
SCHEMBL648189 0.92 DRD2 (0.34) DRD2TBXA2RAGTR1TLR8TRIM24
SCHEMBL652770 0.91 TLR8 (0.35) DRD2TBXA2RAGTR1TLR8TRIM24
SCHEMBL652578 0.90 AGTR1 (0.34) DRD2TBXA2RAGTR1TLR8
SCHEMBL651121 0.90 MEN1 (0.34) DRD2TBXA2RAGTR1TLR8MEN1
SCHEMBL648905 0.86 RARA (0.35) AGTR1MEN1KMT2A
SCHEMBL648999 0.85 ADORA3 (0.37) AGTR1MEN1KMT2AADORA2B
SCHEMBL653481 0.83 MERTK (0.34) DRD2TBXA2RAGTR1ADORA2B
SCHEMBL650059 0.83 AGTR1 (0.37) AGTR1ADORA2B

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