SCHEMBL648345

SCHEMBL648345

CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CRHR1 P34998 3/20 0.39
TSHR P16473 5/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 5/20 0.35
CYP3A4 P08684 4/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASR P41180 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
SCHEMBL648986 0.94 C5AR1 (0.42) C5AR1CRHR1TSHRNR1H2NR1H3
SCHEMBL650679 0.91 C5AR1 (0.43) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL649485 0.89 C5AR1 (0.45) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL651564 0.89 C5AR1 (0.43) C5AR1CRHR1TSHRNR1H2NR1H3
SCHEMBL648382 0.88 C5AR1 (0.48) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL649782 0.88 C5AR1 (0.44) C5AR1CRHR1TSHRNR1H3ATP4A
SCHEMBL648035 0.85 C5AR1 (0.46) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL650777 0.85 C5AR1 (0.46) C5AR1CRHR1TSHRNR1H2NR1H3
SCHEMBL649161 0.85 C5AR1 (0.47) C5AR1CRHR1TSHRNR1H3ATP4A
SCHEMBL5137164 0.85 C5AR1 (0.44) C5AR1TSHRATP4AATP4BKDM4E

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