SCHEMBL648042

SCHEMBL648042

CCCCN(Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)C(C)c1cccc(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
C5AR1 P21730 1/20 0.39
TSHR P16473 3/20 0.36
CASR P41180 2/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PPARG P37231 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CACNA2D1 P54289 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL648091 0.83 C5AR1 (0.44) MAPTC5AR1TSHRATP4AATP4B
SCHEMBL1912884 0.81 C5AR1 (0.37) MAPTC5AR1TSHRCASRATP4A
SCHEMBL647695 0.80 C5AR1 (0.51) MAPTC5AR1TSHRCASRKDM4E
SCHEMBL650780 0.80 C5AR1 (0.58) MAPTC5AR1TSHRCASRALDH1A1
SCHEMBL649957 0.79 C5AR1 (0.38) C5AR1TSHRCASRKDM4EALDH1A1
SCHEMBL649258 0.79 C5AR1 (0.45) MAPTC5AR1TSHRKDM4EALDH1A1
SCHEMBL647665 0.78 ATP4A (0.46) C5AR1TSHRATP4AATP4BPPARG
SCHEMBL650569 0.78 C5AR1 (0.44) MAPTC5AR1TSHRATP4AATP4B
SCHEMBL649417 0.77 C5AR1 (0.43) MAPTC5AR1TSHRKDM4EALDH1A1
SCHEMBL650505 0.77 C5AR1 (0.43) MAPTC5AR1TSHRATP4AATP4B

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
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
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