SCHEMBL648184

SCHEMBL648184

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
GSK3B P49841 1/20 0.40
KCNH2 Q12809 3/20 0.39
MAPT P10636 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.34
MDM2 Q00987 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
GPR142 Q7Z601 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
SCHEMBL5136874 0.92 C5AR1 (0.54) C5AR1KCNH2
SCHEMBL1913012 0.91 C5AR1 (0.50) C5AR1GSK3BKCNH2MEN1KMT2A
SCHEMBL653131 0.89 C5AR1 (0.59) C5AR1KCNH2
SCHEMBL650287 0.88 C5AR1 (0.64) C5AR1MAPTTRPV4UBE2MDCUN1D1
SCHEMBL5134570 0.88 C5AR1 (0.54) C5AR1KCNH2MAPT
SCHEMBL1915326 0.87 C5AR1 (0.51) C5AR1KCNH2
SCHEMBL648190 0.87 C5AR1 (0.65) C5AR1KCNH2MAPTMEN1KMT2A
SCHEMBL650105 0.87 C5AR1 (0.46) C5AR1TRPV4UBE2MDCUN1D1MEN1
SCHEMBL649152 0.85 C5AR1 (0.47) C5AR1KCNH2
SCHEMBL649595 0.84 C5AR1 (0.52) C5AR1KCNH2

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 6 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
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