SCHEMBL650915

SCHEMBL650915

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OC(F)(F)O2)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TSHR P16473 2/20 0.33
CRHR1 P34998 2/20 0.33
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 4/20 0.32
CCR4 P51679 1/20 0.32
PDE2A O00408 2/20 0.32
DRD4 P21917 1/20 0.31
PDE4B Q07343 1/20 0.31
BCHE P06276 2/20 0.31

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
SCHEMBL649149 0.89 C5AR1 (0.64) C5AR1UBE2MDCUN1D1TSHRKDM4E
SCHEMBL5135945 0.89 C5AR1 (0.57) C5AR1TSHRHDAC1KDM4EALDH1A1
SCHEMBL649922 0.88 C5AR1 (0.54) C5AR1UBE2MDCUN1D1TSHRCRHR1
SCHEMBL5134619 0.88 C5AR1 (0.54) C5AR1TSHRCRHR1HDAC1KDM4E
SCHEMBL5135062 0.87 C5AR1 (0.53) C5AR1TSHRCRHR1HDAC1KDM4E
SCHEMBL649848 0.87 C5AR1 (0.53) C5AR1TSHRCRHR1HDAC1KDM4E
SCHEMBL5135166 0.86 C5AR1 (0.45) C5AR1TSHRCRHR1HDAC1KDM4E
SCHEMBL5135713 0.86 C5AR1 (0.44) C5AR1TSHRHDAC1KDM4EALDH1A1
SCHEMBL5137864 0.86 C5AR1 (0.44) C5AR1TSHRHDAC1KDM4EALDH1A1
SCHEMBL5137114 0.85 C5AR1 (0.43) C5AR1TSHRCRHR1HDAC1KDM4E

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 8 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
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed