SCHEMBL648946

SCHEMBL648946

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(C)c(OC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 4/20 0.36
CRHR1 P34998 2/20 0.35
TRPV4 Q9HBA0 3/20 0.35
ADORA2B P29275 2/20 0.35
THRB P10828 1/20 0.34
TYMS P04818 1/20 0.34
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.34
P2RX3 P56373 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL649007 0.91 C5AR1 (0.39) C5AR1MEN1KMT2ACRHR1TRPV4
SCHEMBL649662 0.91 C5AR1 (0.42) C5AR1MEN1KMT2ADHFRCRHR1
SCHEMBL649941 0.91 C5AR1 (0.41) C5AR1MEN1KMT2ADHFRCRHR1
SCHEMBL650105 0.90 C5AR1 (0.46) C5AR1MEN1KMT2ACRHR1TRPV4
SCHEMBL647724 0.90 C5AR1 (0.44) C5AR1MEN1KMT2ACRHR1TSHR
SCHEMBL648166 0.88 C5AR1 (0.43) C5AR1MEN1KMT2ADHFRCRHR1
SCHEMBL5136743 0.88 C5AR1 (0.45) C5AR1MEN1KMT2ADHFRCRHR1
SCHEMBL649523 0.87 MEN1 (0.46) C5AR1MEN1KMT2ACRHR1TRPV4
SCHEMBL5137122 0.87 MEN1 (0.46) C5AR1MEN1KMT2ACRHR1TRPV4
SCHEMBL650679 0.86 C5AR1 (0.43) C5AR1CRHR1TSHR

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 7 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
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