SCHEMBL648704

SCHEMBL648704

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
P2RX3 P56373 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 3/20 0.36
MDM2 Q00987 3/20 0.36
MAPT P10636 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ADORA2B P29275 2/20 0.35
CXCR2 P25025 1/20 0.35
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL649330 0.92 C5AR1 (0.47) C5AR1MEN1KMT2ACRHR1UBE2M
SCHEMBL650105 0.90 C5AR1 (0.46) C5AR1P2RX3MEN1KMT2ACRHR1
SCHEMBL1915352 0.90 C5AR1 (0.42) C5AR1P2RX3MEN1KMT2AMDM2
SCHEMBL648166 0.88 C5AR1 (0.43) C5AR1P2RX3MEN1KMT2ACRHR1
SCHEMBL652233 0.88 C5AR1 (0.46) C5AR1CRHR1TSHR
SCHEMBL653273 0.88 C5AR1 (0.41) C5AR1CNR1CNR2P2RX3MEN1
SCHEMBL5136743 0.88 C5AR1 (0.45) C5AR1CNR2P2RX3MEN1KMT2A
SCHEMBL649523 0.87 MEN1 (0.46) C5AR1CNR2P2RX3MEN1KMT2A
SCHEMBL5137122 0.87 MEN1 (0.46) C5AR1CNR2P2RX3MEN1KMT2A
SCHEMBL651067 0.87 C5AR1 (0.42) C5AR1P2RX3MEN1KMT2ACRHR1

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