SCHEMBL652578

SCHEMBL652578

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.34
MME P08473 5/20 0.34
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
TLR8 Q9NR97 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 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
SCHEMBL648905 0.95 RARA (0.35) AGTR1MMERARARARBRARG
SCHEMBL652331 0.93 DRD2 (0.35) AGTR1DRD2TBXA2RTLR8
SCHEMBL648189 0.92 DRD2 (0.34) AGTR1DRD2TBXA2RTLR8
SCHEMBL650059 0.92 AGTR1 (0.37) AGTR1MME
SCHEMBL652770 0.92 TLR8 (0.35) AGTR1DRD2TBXA2RTLR8
SCHEMBL650291 0.90 DRD2 (0.33) AGTR1DRD2TBXA2RTLR8
SCHEMBL651121 0.87 MEN1 (0.34) AGTR1DRD2TBXA2RTLR8
SCHEMBL648999 0.85 ADORA3 (0.37) AGTR1RARARARBRARG
SCHEMBL653481 0.84 MERTK (0.34) AGTR1DRD2TBXA2R
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