SCHEMBL1912871

SCHEMBL1912871

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(NCC)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
PDE5A O76074 6/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CLK4 Q9HAZ1 8/20 0.39
MAPK1 P28482 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK1 P49759 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL649295 0.89 C5AR1 (0.59) C5AR1PDE5ALMNASMN1; SMN2L3MBTL1
SCHEMBL649867 0.89 C5AR1 (0.59) C5AR1PDE5ALMNASMN1; SMN2L3MBTL1
SCHEMBL1912870 0.88 C5AR1 (0.60) C5AR1LMNASMN1; SMN2L3MBTL1CLK4
SCHEMBL650377 0.88 C5AR1 (0.58) C5AR1PDE5ALMNASMN1; SMN2L3MBTL1
SCHEMBL4767016 0.86 C5AR1 (0.75) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5135929 0.85 C5AR1 (0.72) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL649255 0.84 C5AR1 (0.71) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL649645 0.83 C5AR1 (0.70) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL648372 0.83 C5AR1 (0.70) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1913022 0.83 C5AR1 (0.69) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1

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 8 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
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