SCHEMBL650616

SCHEMBL650616

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 1/20 0.38
DAGLA Q9Y4D2 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H3 Q13133 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CASR P41180 1/20 0.32
PDE4B Q07343 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
SCHEMBL651033 0.90 C5AR1 (0.44) C5AR1TSHRDAGLALMNAHTT
SCHEMBL651956 0.89 C5AR1 (0.43) C5AR1TSHRDAGLALMNAHTT
SCHEMBL652505 0.88 C5AR1 (0.42) C5AR1TSHRDAGLALMNAHTT
SCHEMBL650283 0.87 C5AR1 (0.42) C5AR1TSHRLMNAALDH1A1KDM4E
SCHEMBL652236 0.87 C5AR1 (0.42) C5AR1TSHRDAGLALMNAHTT
SCHEMBL650201 0.86 C5AR1 (0.41) C5AR1TSHRLMNAALDH1A1KDM4E
SCHEMBL650580 0.86 C5AR1 (0.41) C5AR1TSHRDAGLALMNAHTT
SCHEMBL5135971 0.86 C5AR1 (0.41) C5AR1TSHRLMNAHTTSMN1; SMN2
SCHEMBL650810 0.86 C5AR1 (0.40) C5AR1TSHRDAGLALMNAHTT
SCHEMBL1912884 0.85 C5AR1 (0.37) C5AR1TSHRDAGLALMNAHTT

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