SCHEMBL648871

SCHEMBL648871

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)CC1CC=CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MDM2 Q00987 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL650100 0.90 C5AR1 (0.40) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL1913034 0.87 C5AR1 (0.38) C5AR1TSHRALDH1A1HTTMDM2
SCHEMBL651033 0.87 C5AR1 (0.44) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL651956 0.86 C5AR1 (0.43) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL649810 0.86 C5AR1 (0.40) C5AR1TSHRALDH1A1
SCHEMBL652505 0.85 C5AR1 (0.42) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL650283 0.84 C5AR1 (0.42) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL652236 0.84 C5AR1 (0.42) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL5135971 0.84 C5AR1 (0.41) C5AR1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL650201 0.84 C5AR1 (0.41) C5AR1KDM4EHSD17B10TSHRALDH1A1

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