SCHEMBL649812

SCHEMBL649812

CCCCn1c(-c2ccccc2)nc(-c2ccccc2SC)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 3/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL651406 0.89 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL4767016 0.89 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL652149 0.88 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650028 0.88 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5135929 0.87 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913022 0.87 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649820 0.87 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648475 0.87 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649975 0.87 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649255 0.86 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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