SCHEMBL648764

SCHEMBL648764

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC(F)F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
BACE1 P56817 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 1/20 0.34
CRHR1 P34998 2/20 0.34
TRPV4 Q9HBA0 2/20 0.34
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL650152 0.93 C5AR1 (0.40) C5AR1MEN1KMT2AP2RX3CRHR1
SCHEMBL648891 0.93 C5AR1 (0.44) C5AR1BACE1CRHR1TSHR
SCHEMBL649007 0.91 C5AR1 (0.39) C5AR1MEN1KMT2AP2RX3CRHR1
SCHEMBL649662 0.91 C5AR1 (0.42) C5AR1FFAR4MEN1KMT2AP2RX3
SCHEMBL648525 0.91 C5AR1 (0.40) C5AR1MEN1KMT2AP2RX3CRHR1
SCHEMBL650285 0.91 C5AR1 (0.41) C5AR1BACE1MEN1KMT2AP2RX3
SCHEMBL653237 0.90 C5AR1 (0.40) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL648409 0.89 C5AR1 (0.42) C5AR1BACE1CRHR1TSHR
SCHEMBL649513 0.89 C5AR1 (0.43) C5AR1BACE1CRHR1TSHR
SCHEMBL1915545 0.88 C5AR1 (0.42) C5AR1BACE1CRHR1TSHR

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