SCHEMBL650057

SCHEMBL650057

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
USP2 O75604 1/20 0.40
ALPG P10696 1/20 0.40
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 6/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CASR P41180 2/20 0.35
OGA O60502 1/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
POLB P06746 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
SCHEMBL1912886 0.95 C5AR1 (0.45) C5AR1USP2ALPGMEN1HTT
SCHEMBL650780 0.87 C5AR1 (0.58) C5AR1USP2ALPGMEN1HTT
SCHEMBL648474 0.82 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL650212 0.82 C5AR1 (0.43) C5AR1MEN1KMT2AHPGDLMNA
SCHEMBL647695 0.82 C5AR1 (0.51) C5AR1USP2ALPGMEN1HTT
SCHEMBL649661 0.81 C5AR1 (0.66) C5AR1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL651171 0.81 C5AR1 (0.42) C5AR1MEN1KMT2AALDH1A1CASR
SCHEMBL1912835 0.81 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651123 0.80 C5AR1 (0.60) C5AR1USP2ALPGMEN1HTT
SCHEMBL649913 0.80 C5AR1 (0.64) C5AR1MEN1KMT2ASMN1; SMN2LMNA

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 10 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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS 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
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed