SCHEMBL653273

SCHEMBL653273

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
P2RX7 Q99572 2/20 0.39
CRHR1 P34998 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.34
P2RX3 P56373 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ADORA2B P29275 2/20 0.34
DHFR P00374 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL648124 0.91 C5AR1 (0.40) C5AR1CRHR1MEN1KMT2AICMT
SCHEMBL650105 0.88 C5AR1 (0.46) C5AR1CRHR1MEN1KMT2AP2RX3
SCHEMBL648704 0.88 C5AR1 (0.42) C5AR1CRHR1MEN1KMT2AP2RX3
SCHEMBL648166 0.88 C5AR1 (0.43) C5AR1CRHR1TDP1MEN1KMT2A
SCHEMBL651067 0.86 C5AR1 (0.42) C5AR1CRHR1MEN1KMT2AICMT
SCHEMBL652017 0.86 C5AR1 (0.43) C5AR1P2RX7CRHR1ICMTCNR1
SCHEMBL649835 0.86 P2RX7 (0.43) C5AR1P2RX7CRHR1NR1H2
SCHEMBL5136743 0.86 C5AR1 (0.45) C5AR1CRHR1MEN1KMT2AICMT
SCHEMBL649523 0.85 MEN1 (0.46) C5AR1CRHR1MEN1KMT2AP2RX3
SCHEMBL5137122 0.85 MEN1 (0.46) C5AR1CRHR1MEN1KMT2AP2RX3

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 8 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
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