SCHEMBL647791

SCHEMBL647791

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cncc(OC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
TLR7 Q9NYK1 7/20 0.41
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GBA1 P04062 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
METAP2 P50579 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL648111 0.91 C5AR1 (0.51) C5AR1TLR7LMNASMN1; SMN2L3MBTL1
SCHEMBL652376 0.89 C5AR1 (0.58) C5AR1GBA1LMNASMN1; SMN2L3MBTL1
SCHEMBL648020 0.88 C5AR1 (0.49) C5AR1TLR7LMNASMN1; SMN2L3MBTL1
SCHEMBL1912840 0.87 C5AR1 (0.63) C5AR1GBA1LMNASMN1; SMN2L3MBTL1
SCHEMBL648133 0.87 C5AR1 (0.49) C5AR1TLR7GBA1LMNASMN1; SMN2
SCHEMBL650806 0.87 C5AR1 (0.57) C5AR1TLR7LMNASMN1; SMN2L3MBTL1
SCHEMBL650515 0.86 C5AR1 (0.54) C5AR1TLR7GBA1LMNASMN1; SMN2
SCHEMBL648614 0.86 C5AR1 (0.55) C5AR1GBA1LMNASMN1; SMN2L3MBTL1
SCHEMBL648693 0.86 C5AR1 (0.55) C5AR1GBA1LMNASMN1; SMN2L3MBTL1
SCHEMBL648633 0.86 C5AR1 (0.50) C5AR1TLR7LMNASMN1; SMN2L3MBTL1

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