SCHEMBL649835

SCHEMBL649835

CCCCN(Cc1ccc(F)cc1Cl)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
C5AR1 P21730 1/20 0.42
TSHR P16473 3/20 0.38
CRHR1 P34998 2/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP3A4 P08684 2/20 0.35
NR1H2 P55055 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5138004 0.97 P2RX7 (0.43) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5135659 0.96 P2RX7 (0.41) P2RX7C5AR1TSHRCRHR1NR1H2
SCHEMBL5071864 0.96 P2RX7 (0.43) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5074977 0.91 C5AR1 (0.39) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5137835 0.91 C5AR1 (0.43) C5AR1TSHRCRHR1HDAC1KDM4E
SCHEMBL5135670 0.91 C5AR1 (0.43) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5134844 0.90 C5AR1 (0.44) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5074315 0.89 C5AR1 (0.40) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5135016 0.89 C5AR1 (0.41) P2RX7C5AR1TSHRCRHR1HDAC1
SCHEMBL5135155 0.89 C5AR1 (0.42) C5AR1TSHRCRHR1HDAC1KDM4E

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