SCHEMBL647851

SCHEMBL647851

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1cc(C)c(O)c(C)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
F2R P25116 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2B P41595 4/20 0.36
HTR2C P28335 3/20 0.36
HTR7 P34969 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
TP53 P04637 2/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCHR1 Q99705 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
SCHEMBL649407 0.94 C5AR1 (0.49) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL648019 0.89 C5AR1 (0.44) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL653205 0.88 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL649515 0.87 C5AR1 (0.43) C5AR1F2RSMN1; SMN2HTR2AHTR2B
SCHEMBL1913040 0.87 C5AR1 (0.43) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL648571 0.87 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL651675 0.86 HTR2A (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL651654 0.86 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL654075 0.83 C5AR1 (0.49) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL650053 0.83 C5AR1 (0.38) C5AR1F2RSMN1; SMN2HTR2AHTR2B

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