SCHEMBL651123

SCHEMBL651123

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(C)C(C)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.60
USP2 O75604 1/20 0.40
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GNRHR P30968 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
OGA O60502 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.35
PTGFR P43088 2/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL650780 0.90 C5AR1 (0.58) C5AR1USP2ALPGSMN1; SMN2L3MBTL1
SCHEMBL647695 0.86 C5AR1 (0.51) C5AR1USP2ALPGSMN1; SMN2L3MBTL1
SCHEMBL648833 0.83 C5AR1 (0.58) C5AR1USP2ALPGSMN1; SMN2L3MBTL1
SCHEMBL647749 0.83 C5AR1 (0.73) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL4767009 0.82 C5AR1 (0.57) C5AR1USP2ALPGSMN1; SMN2L3MBTL1
SCHEMBL4767016 0.81 C5AR1 (0.75) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL649864 0.81 C5AR1 (0.69) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL649255 0.81 C5AR1 (0.71) C5AR1SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL650057 0.80 C5AR1 (0.51) C5AR1USP2ALPGSMN1; SMN2L3MBTL1
SCHEMBL5135929 0.80 C5AR1 (0.72) 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 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
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
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