SCHEMBL649645

SCHEMBL649645

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2R P25116 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL648372 1.00 C5AR1 (0.70) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL4767016 0.96 C5AR1 (0.75) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL1913022 0.95 C5AR1 (0.69) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL5135929 0.95 C5AR1 (0.72) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL651414 0.95 C5AR1 (0.69) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL649255 0.94 C5AR1 (0.71) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL653382 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL651187 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL650779 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL1912861 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed