SCHEMBL648143

SCHEMBL648143

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL650114 0.92 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648214 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
Dimethylamine SCHEMBL653060 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650350 0.89 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650920 0.89 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648164 0.87 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648699 0.87 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL1913049 0.86 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649661 0.86 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL4767016 0.86 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR

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 7 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
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed