SCHEMBL647754

SCHEMBL647754

CCCCn1c(-c2ccccc2C)nc(F)c1CN(Cc1ccc(C(=O)O)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MEP1B Q16820 1/20 0.39
TAS2R14 Q9NYV8 4/20 0.37
LPAR1 Q92633 4/20 0.37
LPAR5 Q9H1C0 4/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
BCHE P06276 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL648453 0.92 AGTR1 (0.38) SMN1; SMN2CNR1CNR2
SCHEMBL14572909 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MEP1BTAS2R14LPAR1LPAR5
SCHEMBL651244 0.84 C5AR1 (0.44) SMN1; SMN2
SCHEMBL649715 0.84 MEN1 (0.33) SMN1; SMN2BCHE
SCHEMBL652511 0.84 C5AR1 (0.39) SMN1; SMN2
SCHEMBL648947 0.83 C5AR1 (0.41) TAS2R14
SCHEMBL1913045 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MEP1BTAS2R14RXRARXRB
SCHEMBL651577 0.79 ADORA3 (0.39) LPAR1LPAR5LTB4R2
SCHEMBL651294 0.78 BCHE (0.40) BCHEPPARGPPARA
SCHEMBL652625 0.77 LTB4R2 (0.41) TAS2R14LTB4R2

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 7 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
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