SCHEMBL650787

SCHEMBL650787

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CCC(C)C)Cc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
HDAC1 Q13547 3/20 0.39
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AGTR1 P30556 1/20 0.34
PPARG P37231 1/20 0.34
FAAH O00519 2/20 0.33
PDK1 Q15118 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32

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
SCHEMBL648873 0.94 MC4R (0.37) C5AR1HDAC1KMT2APPARGPDK1
SCHEMBL648838 0.93 C5AR1 (0.43) C5AR1HDAC1AGTR1PPARGPDK1
SCHEMBL652464 0.90 C5AR1 (0.44) C5AR1AGTR1PPARGPDK1JAK2
SCHEMBL651825 0.90 C5AR1 (0.39) C5AR1HDAC1KMT2AL3MBTL1AGTR1
SCHEMBL648586 0.87 C5AR1 (0.39) C5AR1PPARGPDK1TSHR
SCHEMBL649303 0.86 C5AR1 (0.45) C5AR1HDAC1AGTR1PPARGFAAH
SCHEMBL5218869 0.85 C5AR1 (0.37) C5AR1HDAC1PPARGTDP1
SCHEMBL651426 0.85 C5AR1 (0.38) C5AR1HDAC1KMT2APPARGPDK1
SCHEMBL648253 0.84 TSHR (0.41) C5AR1PPARGPDK1TDP1TSHR
SCHEMBL650278 0.84 C5AR1 (0.40) C5AR1HDAC1L3MBTL1AGTR1PPARG

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