SCHEMBL649896

SCHEMBL649896

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
TAS2R14 Q9NYV8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
UBE2M P61081 3/20 0.41
DCUN1D1 Q96GG9 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEP1B Q16820 1/20 0.39
LTA4H P09960 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL650214 0.95 C5AR1 (0.51) C5AR1TAS2R14ALDH1A1NPSR1PTGES
SCHEMBL1913048 0.95 C5AR1 (0.56) C5AR1TAS2R14ALDH1A1NPSR1SMN1; SMN2
SCHEMBL648929 0.94 C5AR1 (0.55) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL650118 0.93 C5AR1 (0.63) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL648841 0.93 C5AR1 (0.65) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL649436 0.93 C5AR1 (0.54) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL5135637 0.91 C5AR1 (0.65) C5AR1TAS2R14ALDH1A1NPSR1PTGES
SCHEMBL1912842 0.90 C5AR1 (0.62) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL649792 0.89 C5AR1 (0.62) C5AR1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL647995 0.89 C5AR1 (0.56) C5AR1TAS2R14ALDH1A1NPSR1PTGES

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