SCHEMBL652163

SCHEMBL652163

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(C(C)=O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
TSHR P16473 3/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL5135637 0.94 C5AR1 (0.65) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL5136775 0.93 C5AR1 (0.63) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL5135929 0.92 C5AR1 (0.72) C5AR1TSHRPPARGPPARALMNA
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1TSHRPPARGPPARALMNA
SCHEMBL5136520 0.91 C5AR1 (0.61) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL1913048 0.91 C5AR1 (0.56) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL649563 0.90 C5AR1 (0.61) C5AR1TSHRPPARGPPARALMNA
SCHEMBL650916 0.89 C5AR1 (0.58) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL2343725 0.89 C5AR1 (0.59) C5AR1TSHRPPARGPPARALMNA
SCHEMBL649255 0.89 C5AR1 (0.71) C5AR1TSHRPPARGPPARALMNA

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 6 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-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