SCHEMBL650635

SCHEMBL650635

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
TSHR P16473 2/20 0.37
CRHR1 P34998 4/20 0.36
HSD11B1 P28845 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H2 P55055 1/20 0.33
PDE4B Q07343 1/20 0.33
NR1H3 Q13133 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
SCHEMBL648158 0.93 C5AR1 (0.41) C5AR1UBE2MDCUN1D1TSHRCRHR1
SCHEMBL5134835 0.93 C5AR1 (0.44) C5AR1TSHRCRHR1HSD11B1KDM4E
SCHEMBL650029 0.92 C5AR1 (0.40) C5AR1UBE2MDCUN1D1TSHRCRHR1
SCHEMBL652182 0.90 C5AR1 (0.41) C5AR1TSHRCRHR1ALDH1A1NR1H2
SCHEMBL647986 0.90 C5AR1 (0.43) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL649108 0.88 C5AR1 (0.60) C5AR1UBE2MDCUN1D1TSHRKDM4E
SCHEMBL5136299 0.87 C5AR1 (0.45) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL651739 0.86 CCR4 (0.45) C5AR1UBE2MDCUN1D1TSHRCRHR1
SCHEMBL651879 0.85 C5AR1 (0.43) C5AR1UBE2MDCUN1D1TSHRCRHR1
SCHEMBL651067 0.85 C5AR1 (0.42) C5AR1UBE2MDCUN1D1TSHRCRHR1

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