SCHEMBL650996

SCHEMBL650996

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC1CCCCC1)CC1CCC2OCOC2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 6/20 0.35
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 7/20 0.34
CYP3A4 P08684 6/20 0.34
HPGD P15428 6/20 0.34
HDAC1 Q13547 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.32
CRHR1 P34998 4/20 0.32
ABCC1 P33527 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 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
SCHEMBL651501 0.89 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL648547 0.86 C5AR1 (0.39) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5137864 0.86 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL648237 0.85 TSHR (0.42) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5135713 0.84 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL649810 0.84 C5AR1 (0.40) C5AR1TSHRALDH1A1HDAC1
SCHEMBL5134999 0.83 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5134910 0.83 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5136466 0.83 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5137114 0.82 C5AR1 (0.43) C5AR1TSHRKDM4EALDH1A1HSD17B10

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