SCHEMBL647890

SCHEMBL647890

CCCCn1c(-c2ccccc2)nc(-c2ccc(SCC)cc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
F2R P25116 1/20 0.36
GNRHR P30968 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL650028 0.93 C5AR1 (0.66) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL648359 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL649645 0.91 C5AR1 (0.70) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL648372 0.91 C5AR1 (0.70) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL1913022 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL651414 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5135929 0.91 C5AR1 (0.72) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL649255 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL1912861 0.89 C5AR1 (0.68) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA

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